# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25621209
_cell_length_b   12.69080466
_cell_length_c   47.04211595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.67419763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2504.83393626
_cell_formula_units_Z   102
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  0.159183  0.150766  0.282692  1
  Ni  Ni2  1  0.324487  0.477787  0.290974  1
  Ni  Ni3  1  0.486262  0.808221  0.298512  1
  Ni  Ni4  1  0.410018  0.987956  0.279412  1
  Ni  Ni5  1  0.579802  0.313324  0.286820  1
  Ni  Ni6  1  0.742329  0.642220  0.295103  1
  Ni  Ni7  1  0.657645  0.139372  0.307493  1
  Ni  Ni8  1  0.820969  0.469151  0.315785  1
  Ni  Ni9  1  0.984658  0.799441  0.323642  1
  Ni  Ni10  1  0.905229  0.971765  0.302632  1
  Ni  Ni11  1  0.073761  0.304648  0.311697  1
  Ni  Ni12  1  0.238220  0.634115  0.319888  1
  Ni  Ni13  1  0.151549  0.128272  0.333803  1
  Ni  Ni14  1  0.317123  0.459657  0.342494  1
  Ni  Ni15  1  0.480391  0.789286  0.350653  1
  Ni  Ni16  1  0.402321  0.963770  0.329934  1
  Ni  Ni17  1  0.567507  0.294264  0.338273  1
  Ni  Ni18  1  0.733683  0.624652  0.346661  1
  Ni  Ni19  1  0.646484  0.119726  0.359887  1
  Ni  Ni20  1  0.811475  0.449962  0.368411  1
  Ni  Ni21  1  0.975766  0.780144  0.376817  1
  Ni  Ni22  1  0.898029  0.954250  0.355345  1
  Ni  Ni23  1  0.064218  0.284646  0.364154  1
  Ni  Ni24  1  0.229708  0.615091  0.372651  1
  Ni  Ni25  1  0.141018  0.109886  0.386313  1
  Ni  Ni26  1  0.306060  0.440281  0.394966  1
  Ni  Ni27  1  0.470805  0.770254  0.403507  1
  Ni  Ni28  1  0.394588  0.944762  0.381996  1
  Ni  Ni29  1  0.560074  0.275181  0.390715  1
  Ni  Ni30  1  0.725585  0.605397  0.399230  1
  Ni  Ni31  1  0.636197  0.100424  0.412655  1
  Ni  Ni32  1  0.801255  0.430745  0.421287  1
  Ni  Ni33  1  0.966201  0.760849  0.429902  1
  Ni  Ni34  1  0.890251  0.935211  0.408174  1
  Ni  Ni35  1  0.055522  0.265550  0.416992  1
  Ni  Ni36  1  0.220931  0.595803  0.425583  1
  Ni  Ni37  1  0.131303  0.090818  0.439032  1
  Ni  Ni38  1  0.296438  0.421125  0.447704  1
  Ni  Ni39  1  0.461434  0.751231  0.456390  1
  Ni  Ni40  1  0.385817  0.925736  0.434631  1
  Ni  Ni41  1  0.550897  0.255990  0.443409  1
  Ni  Ni42  1  0.716263  0.586246  0.452022  1
  Ni  Ni43  1  0.626544  0.081294  0.465419  1
  Ni  Ni44  1  0.791708  0.411565  0.474081  1
  Ni  Ni45  1  0.956737  0.741714  0.482808  1
  Ni  Ni46  1  0.881156  0.916197  0.460982  1
  Ni  Ni47  1  0.046210  0.246407  0.469768  1
  Ni  Ni48  1  0.211488  0.576659  0.478415  1
  Ni  Ni49  1  0.121748  0.071719  0.491806  1
  Ni  Ni50  1  0.286971  0.401978  0.500467  1
  Ni  Ni51  1  0.452001  0.732153  0.509224  1
  Ni  Ni52  1  0.376478  0.906672  0.487402  1
  Ni  Ni53  1  0.541507  0.236847  0.496159  1
  Ni  Ni54  1  0.706731  0.567106  0.504820  1
  Ni  Ni55  1  0.616990  0.062166  0.518211  1
  Ni  Ni56  1  0.782269  0.392418  0.526858  1
  Ni  Ni57  1  0.947322  0.722628  0.535643  1
  Ni  Ni58  1  0.871741  0.897111  0.513818  1
  Ni  Ni59  1  0.036771  0.227260  0.522545  1
  Ni  Ni60  1  0.201934  0.557531  0.531206  1
  Ni  Ni61  1  0.112216  0.052579  0.544603  1
  Ni  Ni62  1  0.277581  0.382835  0.553217  1
  Ni  Ni63  1  0.442662  0.713089  0.561995  1
  Ni  Ni64  1  0.367044  0.887594  0.540235  1
  Ni  Ni65  1  0.532040  0.217700  0.548922  1
  Ni  Ni66  1  0.697176  0.548007  0.557593  1
  Ni  Ni67  1  0.607547  0.043022  0.571042  1
  Ni  Ni68  1  0.772957  0.373274  0.579634  1
  Ni  Ni69  1  0.938227  0.703614  0.588452  1
  Ni  Ni70  1  0.862278  0.877976  0.566724  1
  Ni  Ni71  1  0.027224  0.208080  0.575339  1
  Ni  Ni72  1  0.192281  0.538401  0.583970  1
  Ni  Ni73  1  0.102893  0.033428  0.597396  1
  Ni  Ni74  1  0.268404  0.363644  0.605910  1
  Ni  Ni75  1  0.433890  0.694063  0.614630  1
  Ni  Ni76  1  0.357674  0.868571  0.593119  1
  Ni  Ni77  1  0.522419  0.198544  0.601660  1
  Ni  Ni78  1  0.687461  0.528939  0.610313  1
  Ni  Ni79  1  0.598770  0.023734  0.623974  1
  Ni  Ni80  1  0.764260  0.354179  0.632471  1
  Ni  Ni81  1  0.930450  0.684575  0.641281  1
  Ni  Ni82  1  0.852713  0.858681  0.619809  1
  Ni  Ni83  1  0.017004  0.188863  0.628215  1
  Ni  Ni84  1  0.181994  0.519098  0.636739  1
  Ni  Ni85  1  0.094795  0.014173  0.649965  1
  Ni  Ni86  1  0.260972  0.344561  0.658353  1
  Ni  Ni87  1  0.426157  0.675055  0.666691  1
  Ni  Ni88  1  0.348087  0.849539  0.645973  1
  Ni  Ni89  1  0.511355  0.179167  0.654132  1
  Ni  Ni90  1  0.676930  0.510553  0.662823  1
  Ni  Ni91  1  0.590259  0.004710  0.676738  1
  Ni  Ni92  1  0.754718  0.334177  0.684929  1
  Ni  Ni93  1  0.923250  0.667060  0.693993  1
  Ni  Ni94  1  0.843821  0.839384  0.672984  1
  Ni  Ni95  1  0.007510  0.169674  0.680841  1
  Ni  Ni96  1  0.170834  0.499453  0.689133  1
  Ni  Ni97  1  0.086150  0.996605  0.701523  1
  Ni  Ni98  1  0.248677  0.325501  0.709806  1
  Ni  Ni99  1  0.418460  0.650869  0.717214  1
  Ni  Ni100  1  0.342216  0.830604  0.698114  1
  Ni  Ni101  1  0.503991  0.161037  0.705652  1
  Ni  Ni102  1  0.669295  0.488059  0.713933  1
