# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10400312
_cell_length_b   11.10255950
_cell_length_c   47.73360454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5855.23746242
_cell_formula_units_Z   252
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.927166  0.260724  0.299720  1
  Ni  Ni2  1  0.260499  0.927391  0.299720  1
  Ni  Ni3  1  0.229605  0.229829  0.322397  1
  Ni  Ni4  1  0.593832  0.594058  0.299720  1
  Ni  Ni5  1  0.562938  0.896495  0.322397  1
  Ni  Ni6  1  0.625628  0.292537  0.278937  1
  Ni  Ni7  1  0.896272  0.563162  0.322397  1
  Ni  Ni8  1  0.958962  0.959204  0.278937  1
  Ni  Ni9  1  0.292295  0.625870  0.278937  1
  Ni  Ni10  1  0.062938  0.396495  0.322397  1
  Ni  Ni11  1  0.396272  0.063162  0.322397  1
  Ni  Ni12  1  0.458962  0.459204  0.278937  1
  Ni  Ni13  1  0.729605  0.729829  0.322397  1
  Ni  Ni14  1  0.792295  0.125870  0.278937  1
  Ni  Ni15  1  0.760499  0.427391  0.299720  1
  Ni  Ni16  1  0.125628  0.792537  0.278937  1
  Ni  Ni17  1  0.093832  0.094058  0.299720  1
  Ni  Ni18  1  0.427166  0.760724  0.299720  1
  Ni  Ni19  1  0.958962  0.459204  0.278937  1
  Ni  Ni20  1  0.292295  0.125870  0.278937  1
  Ni  Ni21  1  0.260499  0.427391  0.299720  1
  Ni  Ni22  1  0.625628  0.792537  0.278937  1
  Ni  Ni23  1  0.593832  0.094058  0.299720  1
  Ni  Ni24  1  0.562938  0.396495  0.322397  1
  Ni  Ni25  1  0.927166  0.760724  0.299720  1
  Ni  Ni26  1  0.896272  0.063162  0.322397  1
  Ni  Ni27  1  0.229605  0.729829  0.322397  1
  Ni  Ni28  1  0.125628  0.292537  0.278937  1
  Ni  Ni29  1  0.458962  0.959204  0.278937  1
  Ni  Ni30  1  0.427166  0.260724  0.299720  1
  Ni  Ni31  1  0.792295  0.625870  0.278937  1
  Ni  Ni32  1  0.760499  0.927391  0.299720  1
  Ni  Ni33  1  0.729605  0.229829  0.322397  1
  Ni  Ni34  1  0.093832  0.594058  0.299720  1
  Ni  Ni35  1  0.062938  0.896495  0.322397  1
  Ni  Ni36  1  0.396272  0.563162  0.322397  1
  Ni  Ni37  1  0.835232  0.168779  0.366639  1
  Ni  Ni38  1  0.168566  0.835445  0.366639  1
  Ni  Ni39  1  0.137995  0.138203  0.388676  1
  Ni  Ni40  1  0.501899  0.502112  0.366639  1
  Ni  Ni41  1  0.471329  0.804870  0.388676  1
  Ni  Ni42  1  0.532169  0.199053  0.343995  1
  Ni  Ni43  1  0.804662  0.471536  0.388676  1
  Ni  Ni44  1  0.865503  0.865719  0.343995  1
  Ni  Ni45  1  0.198836  0.532386  0.343995  1
  Ni  Ni46  1  0.971329  0.304870  0.388676  1
  Ni  Ni47  1  0.304662  0.971536  0.388676  1
  Ni  Ni48  1  0.365503  0.365719  0.343995  1
  Ni  Ni49  1  0.637995  0.638203  0.388676  1
  Ni  Ni50  1  0.698836  0.032386  0.343995  1
  Ni  Ni51  1  0.668566  0.335445  0.366639  1
  Ni  Ni52  1  0.032169  0.699053  0.343995  1
  Ni  Ni53  1  0.001899  0.002112  0.366639  1
  Ni  Ni54  1  0.335232  0.668779  0.366639  1
  Ni  Ni55  1  0.865503  0.365719  0.343995  1
  Ni  Ni56  1  0.198836  0.032386  0.343995  1
  Ni  Ni57  1  0.168566  0.335445  0.366639  1
  Ni  Ni58  1  0.532169  0.699053  0.343995  1
  Ni  Ni59  1  0.501899  0.002112  0.366639  1
  Ni  Ni60  1  0.471329  0.304870  0.388676  1
  Ni  Ni61  1  0.835232  0.668779  0.366639  1
  Ni  Ni62  1  0.804662  0.971536  0.388676  1
  Ni  Ni63  1  0.137995  0.638203  0.388676  1
  Ni  Ni64  1  0.032169  0.199053  0.343995  1
  Ni  Ni65  1  0.365503  0.865719  0.343995  1
  Ni  Ni66  1  0.335232  0.168779  0.366639  1
  Ni  Ni67  1  0.698836  0.532386  0.343995  1
  Ni  Ni68  1  0.668566  0.835445  0.366639  1
  Ni  Ni69  1  0.637995  0.138203  0.388676  1
  Ni  Ni70  1  0.001899  0.502112  0.366639  1
  Ni  Ni71  1  0.971329  0.804870  0.388676  1
  Ni  Ni72  1  0.304662  0.471536  0.388676  1
  Ni  Ni73  1  0.743811  0.077343  0.433294  1
  Ni  Ni74  1  0.077145  0.744010  0.433294  1
  Ni  Ni75  1  0.046737  0.046930  0.455631  1
  Ni  Ni76  1  0.410478  0.410676  0.433294  1
  Ni  Ni77  1  0.380070  0.713597  0.455631  1
  Ni  Ni78  1  0.440964  0.107834  0.411109  1
  Ni  Ni79  1  0.713403  0.380264  0.455631  1
  Ni  Ni80  1  0.774297  0.774501  0.411109  1
  Ni  Ni81  1  0.107631  0.441167  0.411109  1
  Ni  Ni82  1  0.880070  0.213597  0.455631  1
  Ni  Ni83  1  0.213403  0.880264  0.455631  1
  Ni  Ni84  1  0.274297  0.274501  0.411109  1
  Ni  Ni85  1  0.546737  0.546930  0.455631  1
  Ni  Ni86  1  0.607631  0.941167  0.411109  1
  Ni  Ni87  1  0.577145  0.244010  0.433294  1
  Ni  Ni88  1  0.940964  0.607834  0.411109  1
  Ni  Ni89  1  0.910478  0.910676  0.433294  1
  Ni  Ni90  1  0.243811  0.577343  0.433294  1
  Ni  Ni91  1  0.774297  0.274501  0.411109  1
  Ni  Ni92  1  0.107631  0.941167  0.411109  1
  Ni  Ni93  1  0.077145  0.244010  0.433294  1
  Ni  Ni94  1  0.440964  0.607834  0.411109  1
  Ni  Ni95  1  0.410478  0.910676  0.433294  1
  Ni  Ni96  1  0.380070  0.213597  0.455631  1
  Ni  Ni97  1  0.743811  0.577343  0.433294  1
  Ni  Ni98  1  0.713403  0.880264  0.455631  1
  Ni  Ni99  1  0.046737  0.546930  0.455631  1
  Ni  Ni100  1  0.940964  0.107834  0.411109  1
  Ni  Ni101  1  0.274297  0.774501  0.411109  1
  Ni  Ni102  1  0.243811  0.077343  0.433294  1
  Ni  Ni103  1  0.607631  0.441167  0.411109  1
  Ni  Ni104  1  0.577145  0.744010  0.433294  1
  Ni  Ni105  1  0.546737  0.046930  0.455631  1
  Ni  Ni106  1  0.910478  0.410676  0.433294  1
  Ni  Ni107  1  0.880070  0.713597  0.455631  1
  Ni  Ni108  1  0.213403  0.380264  0.455631  1
  Ni  Ni109  1  0.652521  0.986039  0.500170  1
  Ni  Ni110  1  0.985854  0.652705  0.500170  1
  Ni  Ni111  1  0.955423  0.955603  0.522459  1
  Ni  Ni112  1  0.319188  0.319372  0.500170  1
  Ni  Ni113  1  0.288757  0.622269  0.522459  1
  Ni  Ni114  1  0.349619  0.016474  0.477881  1
  Ni  Ni115  1  0.622090  0.288936  0.522459  1
  Ni  Ni116  1  0.682952  0.683141  0.477881  1
  Ni  Ni117  1  0.016286  0.349808  0.477881  1
  Ni  Ni118  1  0.788757  0.122269  0.522459  1
  Ni  Ni119  1  0.122090  0.788936  0.522459  1
  Ni  Ni120  1  0.182952  0.183141  0.477881  1
  Ni  Ni121  1  0.455423  0.455603  0.522459  1
  Ni  Ni122  1  0.516286  0.849808  0.477881  1
  Ni  Ni123  1  0.485854  0.152705  0.500170  1
  Ni  Ni124  1  0.849619  0.516474  0.477881  1
  Ni  Ni125  1  0.819188  0.819372  0.500170  1
  Ni  Ni126  1  0.152521  0.486039  0.500170  1
  Ni  Ni127  1  0.682952  0.183141  0.477881  1
  Ni  Ni128  1  0.016286  0.849808  0.477881  1
  Ni  Ni129  1  0.985854  0.152705  0.500170  1
  Ni  Ni130  1  0.349619  0.516474  0.477881  1
  Ni  Ni131  1  0.319188  0.819372  0.500170  1
  Ni  Ni132  1  0.288757  0.122269  0.522459  1
  Ni  Ni133  1  0.652521  0.486039  0.500170  1
  Ni  Ni134  1  0.622090  0.788936  0.522459  1
  Ni  Ni135  1  0.955423  0.455603  0.522459  1
  Ni  Ni136  1  0.849619  0.016474  0.477881  1
  Ni  Ni137  1  0.182952  0.683141  0.477881  1
  Ni  Ni138  1  0.152521  0.986039  0.500170  1
  Ni  Ni139  1  0.516286  0.349808  0.477881  1
  Ni  Ni140  1  0.485854  0.652705  0.500170  1
  Ni  Ni141  1  0.455423  0.955603  0.522459  1
  Ni  Ni142  1  0.819188  0.319372  0.500170  1
  Ni  Ni143  1  0.788757  0.622269  0.522459  1
  Ni  Ni144  1  0.122090  0.288936  0.522459  1
  Ni  Ni145  1  0.561231  0.894734  0.567045  1
  Ni  Ni146  1  0.894564  0.561401  0.567045  1
  Ni  Ni147  1  0.864078  0.864243  0.589230  1
  Ni  Ni148  1  0.227898  0.228067  0.567045  1
  Ni  Ni149  1  0.197412  0.530910  0.589230  1
  Ni  Ni150  1  0.258306  0.925147  0.544709  1
  Ni  Ni151  1  0.530745  0.197577  0.589230  1
  Ni  Ni152  1  0.591639  0.591814  0.544709  1
  Ni  Ni153  1  0.924972  0.258480  0.544709  1
  Ni  Ni154  1  0.697412  0.030910  0.589230  1
  Ni  Ni155  1  0.030745  0.697577  0.589230  1
  Ni  Ni156  1  0.091639  0.091814  0.544709  1
  Ni  Ni157  1  0.364078  0.364243  0.589230  1
  Ni  Ni158  1  0.424972  0.758480  0.544709  1
  Ni  Ni159  1  0.394564  0.061401  0.567045  1
  Ni  Ni160  1  0.758306  0.425147  0.544709  1
  Ni  Ni161  1  0.727898  0.728067  0.567045  1
  Ni  Ni162  1  0.061231  0.394734  0.567045  1
  Ni  Ni163  1  0.591639  0.091814  0.544709  1
  Ni  Ni164  1  0.924972  0.758480  0.544709  1
  Ni  Ni165  1  0.894564  0.061401  0.567045  1
  Ni  Ni166  1  0.258306  0.425147  0.544709  1
  Ni  Ni167  1  0.227898  0.728067  0.567045  1
  Ni  Ni168  1  0.197412  0.030910  0.589230  1
  Ni  Ni169  1  0.561231  0.394734  0.567045  1
  Ni  Ni170  1  0.530745  0.697577  0.589230  1
  Ni  Ni171  1  0.864078  0.364243  0.589230  1
  Ni  Ni172  1  0.758306  0.925147  0.544709  1
  Ni  Ni173  1  0.091639  0.591814  0.544709  1
  Ni  Ni174  1  0.061231  0.894734  0.567045  1
  Ni  Ni175  1  0.424972  0.258480  0.544709  1
  Ni  Ni176  1  0.394564  0.561401  0.567045  1
  Ni  Ni177  1  0.364078  0.864243  0.589230  1
  Ni  Ni178  1  0.727898  0.228067  0.567045  1
  Ni  Ni179  1  0.697412  0.530910  0.589230  1
  Ni  Ni180  1  0.030745  0.197577  0.589230  1
  Ni  Ni181  1  0.469810  0.803298  0.633701  1
  Ni  Ni182  1  0.803143  0.469965  0.633701  1
  Ni  Ni183  1  0.772873  0.773025  0.656344  1
  Ni  Ni184  1  0.136477  0.136632  0.633701  1
  Ni  Ni185  1  0.106206  0.439691  0.656344  1
  Ni  Ni186  1  0.167047  0.833874  0.611663  1
  Ni  Ni187  1  0.439540  0.106358  0.656344  1
  Ni  Ni188  1  0.500380  0.500541  0.611663  1
  Ni  Ni189  1  0.833714  0.167208  0.611663  1
  Ni  Ni190  1  0.606206  0.939691  0.656344  1
  Ni  Ni191  1  0.939540  0.606358  0.656344  1
  Ni  Ni192  1  1.000380  1.000541  0.611663  1
  Ni  Ni193  1  0.272873  0.273025  0.656344  1
  Ni  Ni194  1  0.333714  0.667208  0.611663  1
  Ni  Ni195  1  0.303143  0.969965  0.633701  1
  Ni  Ni196  1  0.667047  0.333874  0.611663  1
  Ni  Ni197  1  0.636477  0.636632  0.633701  1
  Ni  Ni198  1  0.969810  0.303298  0.633701  1
  Ni  Ni199  1  0.500380  1.000541  0.611663  1
  Ni  Ni200  1  0.833714  0.667208  0.611663  1
  Ni  Ni201  1  0.803143  0.969965  0.633701  1
  Ni  Ni202  1  0.167047  0.333874  0.611663  1
  Ni  Ni203  1  0.136477  0.636632  0.633701  1
  Ni  Ni204  1  0.106206  0.939691  0.656344  1
  Ni  Ni205  1  0.469810  0.303298  0.633701  1
  Ni  Ni206  1  0.439540  0.606358  0.656344  1
  Ni  Ni207  1  0.772873  0.273025  0.656344  1
  Ni  Ni208  1  0.667047  0.833874  0.611663  1
  Ni  Ni209  1  1.000380  0.500541  0.611663  1
  Ni  Ni210  1  0.969810  0.803298  0.633701  1
  Ni  Ni211  1  0.333714  0.167208  0.611663  1
  Ni  Ni212  1  0.303143  0.469965  0.633701  1
  Ni  Ni213  1  0.272873  0.773025  0.656344  1
  Ni  Ni214  1  0.636477  0.136632  0.633701  1
  Ni  Ni215  1  0.606206  0.439691  0.656344  1
  Ni  Ni216  1  0.939540  0.106358  0.656344  1
  Ni  Ni217  1  0.377876  0.711353  0.700620  1
  Ni  Ni218  1  0.711210  0.378020  0.700620  1
  Ni  Ni219  1  0.679414  0.679540  0.721403  1
  Ni  Ni220  1  0.044543  0.044686  0.700620  1
  Ni  Ni221  1  0.012747  0.346207  0.721403  1
  Ni  Ni222  1  0.075437  0.742248  0.677943  1
  Ni  Ni223  1  0.346081  0.012873  0.721403  1
  Ni  Ni224  1  0.408771  0.408915  0.677943  1
  Ni  Ni225  1  0.742104  0.075582  0.677943  1
  Ni  Ni226  1  0.512747  0.846207  0.721403  1
  Ni  Ni227  1  0.846081  0.512873  0.721403  1
  Ni  Ni228  1  0.908771  0.908915  0.677943  1
  Ni  Ni229  1  0.179414  0.179540  0.721403  1
  Ni  Ni230  1  0.242104  0.575582  0.677943  1
  Ni  Ni231  1  0.211210  0.878020  0.700620  1
  Ni  Ni232  1  0.575437  0.242248  0.677943  1
  Ni  Ni233  1  0.544543  0.544686  0.700620  1
  Ni  Ni234  1  0.877876  0.211353  0.700620  1
  Ni  Ni235  1  0.408771  0.908915  0.677943  1
  Ni  Ni236  1  0.742104  0.575582  0.677943  1
  Ni  Ni237  1  0.711210  0.878020  0.700620  1
  Ni  Ni238  1  0.075437  0.242248  0.677943  1
  Ni  Ni239  1  0.044543  0.544686  0.700620  1
  Ni  Ni240  1  0.012747  0.846207  0.721403  1
  Ni  Ni241  1  0.377876  0.211353  0.700620  1
  Ni  Ni242  1  0.346081  0.512873  0.721403  1
  Ni  Ni243  1  0.679414  0.179540  0.721403  1
  Ni  Ni244  1  0.575437  0.742248  0.677943  1
  Ni  Ni245  1  0.908771  0.408915  0.677943  1
  Ni  Ni246  1  0.877876  0.711353  0.700620  1
  Ni  Ni247  1  0.242104  0.075582  0.677943  1
  Ni  Ni248  1  0.211210  0.378020  0.700620  1
  Ni  Ni249  1  0.179414  0.679540  0.721403  1
  Ni  Ni250  1  0.544543  0.044686  0.700620  1
  Ni  Ni251  1  0.512747  0.346207  0.721403  1
  Ni  Ni252  1  0.846081  0.012873  0.721403  1
