# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28296926
_cell_length_b   8.58169313
_cell_length_c   46.82389260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.48396278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1666.32021593
_cell_formula_units_Z   68
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  0.131204  0.134559  0.285087  1
  Ni  Ni2  1  0.382614  0.623282  0.297358  1
  Ni  Ni3  1  0.371398  0.900462  0.279757  1
  Ni  Ni4  1  0.613974  0.374720  0.291528  1
  Ni  Ni5  1  0.629945  0.112148  0.311731  1
  Ni  Ni6  1  0.876348  0.601433  0.323676  1
  Ni  Ni7  1  0.855979  0.865765  0.304803  1
  Ni  Ni8  1  0.104297  0.355810  0.317841  1
  Ni  Ni9  1  0.124315  0.087728  0.337194  1
  Ni  Ni10  1  0.370260  0.578997  0.350161  1
  Ni  Ni11  1  0.345628  0.844912  0.331181  1
  Ni  Ni12  1  0.588657  0.334415  0.343988  1
  Ni  Ni13  1  0.616384  0.067331  0.363921  1
  Ni  Ni14  1  0.861368  0.556552  0.376607  1
  Ni  Ni15  1  0.832241  0.822701  0.357211  1
  Ni  Ni16  1  0.076645  0.311289  0.370249  1
  Ni  Ni17  1  0.106456  0.045059  0.390108  1
  Ni  Ni18  1  0.350834  0.534076  0.403043  1
  Ni  Ni19  1  0.320737  0.800537  0.383638  1
  Ni  Ni20  1  0.565679  0.289947  0.396676  1
  Ni  Ni21  1  0.595891  0.023090  0.416497  1
  Ni  Ni22  1  0.840385  0.512196  0.429458  1
  Ni  Ni23  1  0.809543  0.778451  0.409874  1
  Ni  Ni24  1  0.054329  0.267557  0.422965  1
  Ni  Ni25  1  0.085003  1.000872  0.442782  1
  Ni  Ni26  1  0.329448  0.489919  0.455825  1
  Ni  Ni27  1  0.298668  0.756316  0.436220  1
  Ni  Ni28  1  0.543314  0.245523  0.449322  1
  Ni  Ni29  1  0.573997  0.978764  0.469126  1
  Ni  Ni30  1  0.818516  0.467818  0.482194  1
  Ni  Ni31  1  0.787690  0.734271  0.462544  1
  Ni  Ni32  1  0.032240  0.223306  0.475643  1
  Ni  Ni33  1  0.062982  0.956610  0.495447  1
  Ni  Ni34  1  0.307506  0.445669  0.508542  1
  Ni  Ni35  1  0.276696  0.712120  0.488889  1
  Ni  Ni36  1  0.521219  0.201180  0.501984  1
  Ni  Ni37  1  0.551961  0.934483  0.521788  1
  Ni  Ni38  1  0.796512  0.423518  0.534887  1
  Ni  Ni39  1  0.765686  0.689972  0.515237  1
  Ni  Ni40  1  0.010204  0.179026  0.528305  1
  Ni  Ni41  1  0.040888  0.912267  0.548109  1
  Ni  Ni42  1  0.285534  0.401474  0.561211  1
  Ni  Ni43  1  0.254753  0.667871  0.541606  1
  Ni  Ni44  1  0.499199  0.156918  0.554649  1
  Ni  Ni45  1  0.529873  0.890232  0.574466  1
  Ni  Ni46  1  0.774658  0.379338  0.587557  1
  Ni  Ni47  1  0.743817  0.645594  0.567973  1
  Ni  Ni48  1  0.988310  0.134700  0.580934  1
  Ni  Ni49  1  0.018522  0.867842  0.600755  1
  Ni  Ni50  1  0.263465  0.357253  0.613793  1
  Ni  Ni51  1  0.233368  0.623714  0.594388  1
  Ni  Ni52  1  0.477745  0.112731  0.607323  1
  Ni  Ni53  1  0.507557  0.846501  0.627182  1
  Ni  Ni54  1  0.751961  0.335089  0.640219  1
  Ni  Ni55  1  0.722833  0.601238  0.620824  1
  Ni  Ni56  1  0.967817  0.090459  0.633510  1
  Ni  Ni57  1  0.995544  0.823375  0.653443  1
  Ni  Ni58  1  0.238573  0.312878  0.666250  1
  Ni  Ni59  1  0.213941  0.578793  0.647270  1
  Ni  Ni60  1  0.459886  0.070062  0.660237  1
  Ni  Ni61  1  0.479904  0.801979  0.679590  1
  Ni  Ni62  1  0.728223  0.292025  0.692628  1
  Ni  Ni63  1  0.707853  0.556357  0.673755  1
  Ni  Ni64  1  0.954256  0.045642  0.685700  1
  Ni  Ni65  1  0.970227  0.783070  0.705903  1
  Ni  Ni66  1  0.212803  0.257328  0.717674  1
  Ni  Ni67  1  0.201587  0.534507  0.700073  1
  Ni  Ni68  1  0.452997  0.023230  0.712344  1
