# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98464968
_cell_length_b   7.84755706
_cell_length_c   46.84051051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1738.24904108
_cell_formula_units_Z   72
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  0.597439  0.319419  0.306386  1
  Ni  Ni2  1  0.381256  0.887258  0.282782  1
  Ni  Ni3  1  0.490092  0.604592  0.294316  1
  Ni  Ni4  1  0.709777  0.044423  0.320149  1
  Ni  Ni5  1  0.990092  0.604592  0.294316  1
  Ni  Ni6  1  0.209777  0.044423  0.320149  1
  Ni  Ni7  1  0.097439  0.319419  0.306386  1
  Ni  Ni8  1  0.881256  0.887258  0.282782  1
  Ni  Ni9  1  0.043592  0.212480  0.356858  1
  Ni  Ni10  1  0.820699  0.766366  0.331630  1
  Ni  Ni11  1  0.931331  0.487793  0.343601  1
  Ni  Ni12  1  0.153753  0.932938  0.369410  1
  Ni  Ni13  1  0.431331  0.487793  0.343601  1
  Ni  Ni14  1  0.653753  0.932938  0.369410  1
  Ni  Ni15  1  0.543592  0.212480  0.356858  1
  Ni  Ni16  1  0.320699  0.766366  0.331630  1
  Ni  Ni17  1  0.486907  0.099645  0.406875  1
  Ni  Ni18  1  0.264274  0.654101  0.381544  1
  Ni  Ni19  1  0.375953  0.377592  0.394258  1
  Ni  Ni20  1  0.597520  0.821008  0.419275  1
  Ni  Ni21  1  0.875953  0.377592  0.394258  1
  Ni  Ni22  1  0.097520  0.821008  0.419275  1
  Ni  Ni23  1  0.986907  0.099645  0.406875  1
  Ni  Ni24  1  0.764274  0.654101  0.381544  1
  Ni  Ni25  1  0.930636  0.987656  0.456880  1
  Ni  Ni26  1  0.708693  0.543489  0.431816  1
  Ni  Ni27  1  0.819775  0.265794  0.444392  1
  Ni  Ni28  1  0.041634  0.709788  0.469400  1
  Ni  Ni29  1  0.319775  0.265794  0.444392  1
  Ni  Ni30  1  0.541634  0.709788  0.469400  1
  Ni  Ni31  1  0.430636  0.987656  0.456880  1
  Ni  Ni32  1  0.208693  0.543489  0.431816  1
  Ni  Ni33  1  0.374612  0.876158  0.506981  1
  Ni  Ni34  1  0.152665  0.431988  0.481944  1
  Ni  Ni35  1  0.263634  0.154066  0.494466  1
  Ni  Ni36  1  0.485582  0.598236  0.519503  1
  Ni  Ni37  1  0.763634  0.154066  0.494466  1
  Ni  Ni38  1  0.985582  0.598236  0.519503  1
  Ni  Ni39  1  0.874612  0.876158  0.506981  1
  Ni  Ni40  1  0.652665  0.431988  0.481944  1
  Ni  Ni41  1  0.818472  0.764431  0.557054  1
  Ni  Ni42  1  0.596612  0.320436  0.532047  1
  Ni  Ni43  1  0.707610  0.042568  0.544567  1
  Ni  Ni44  1  0.929553  0.486735  0.569631  1
  Ni  Ni45  1  0.207610  0.042568  0.544567  1
  Ni  Ni46  1  0.429553  0.486735  0.569631  1
  Ni  Ni47  1  0.318472  0.764431  0.557054  1
  Ni  Ni48  1  0.096612  0.320436  0.532047  1
  Ni  Ni49  1  0.262293  0.652632  0.607189  1
  Ni  Ni50  1  0.040727  0.209216  0.582172  1
  Ni  Ni51  1  0.151340  0.930580  0.594572  1
  Ni  Ni52  1  0.373973  0.376123  0.619902  1
  Ni  Ni53  1  0.651340  0.930580  0.594572  1
  Ni  Ni54  1  0.873973  0.376123  0.619902  1
  Ni  Ni55  1  0.762293  0.652632  0.607189  1
  Ni  Ni56  1  0.540727  0.209216  0.582172  1
  Ni  Ni57  1  0.706915  0.542432  0.657846  1
  Ni  Ni58  1  0.484493  0.097287  0.632037  1
  Ni  Ni59  1  0.594655  0.817744  0.644589  1
  Ni  Ni60  1  0.817547  0.263859  0.669817  1
  Ni  Ni61  1  0.094655  0.817744  0.644589  1
  Ni  Ni62  1  0.317547  0.263859  0.669817  1
  Ni  Ni63  1  0.206915  0.542432  0.657846  1
  Ni  Ni64  1  0.984493  0.097287  0.632037  1
  Ni  Ni65  1  0.148155  0.425633  0.707131  1
  Ni  Ni66  1  0.928469  0.985802  0.681297  1
  Ni  Ni67  1  0.040807  0.710806  0.695061  1
  Ni  Ni68  1  0.256990  0.142967  0.718665  1
  Ni  Ni69  1  0.540807  0.710806  0.695061  1
  Ni  Ni70  1  0.756990  0.142967  0.718665  1
  Ni  Ni71  1  0.648155  0.425633  0.707131  1
  Ni  Ni72  1  0.428469  0.985802  0.681297  1
