# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97196366
_cell_length_b   7.83768615
_cell_length_c   46.97528057
_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   1736.6266147
_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  0.283837  0.558349  0.311499  1
  Ni  Ni2  1  0.063476  0.120856  0.286975  1
  Ni  Ni3  1  0.948258  0.394313  0.276896  1
  Ni  Ni4  1  0.168666  0.834995  0.298374  1
  Ni  Ni5  1  0.890975  0.279864  0.325284  1
  Ni  Ni6  1  0.670801  0.839309  0.298486  1
  Ni  Ni7  1  0.776724  0.558373  0.311512  1
  Ni  Ni8  1  0.559706  0.120967  0.286970  1
  Ni  Ni9  1  0.724937  0.448654  0.361872  1
  Ni  Ni10  1  0.501632  0.002460  0.336556  1
  Ni  Ni11  1  0.392250  0.282433  0.324066  1
  Ni  Ni12  1  0.614289  0.726676  0.349215  1
  Ni  Ni13  1  0.335862  0.170012  0.374051  1
  Ni  Ni14  1  0.113549  0.725152  0.348949  1
  Ni  Ni15  1  0.225538  0.448659  0.361869  1
  Ni  Ni16  1  0.002818  0.002438  0.336560  1
  Ni  Ni17  1  0.168912  0.336152  0.411776  1
  Ni  Ni18  1  0.947123  0.891778  0.386681  1
  Ni  Ni19  1  0.835364  0.169014  0.374423  1
  Ni  Ni20  1  0.057943  0.614346  0.399271  1
  Ni  Ni21  1  0.779670  0.057993  0.424305  1
  Ni  Ni22  1  0.557994  0.614456  0.399323  1
  Ni  Ni23  1  0.668673  0.336149  0.411777  1
  Ni  Ni24  1  0.446287  0.891787  0.386680  1
  Ni  Ni25  1  0.612752  0.224498  0.461806  1
  Ni  Ni26  1  0.390766  0.780443  0.436803  1
  Ni  Ni27  1  0.279818  0.058291  0.424211  1
  Ni  Ni28  1  0.501821  0.502480  0.449319  1
  Ni  Ni29  1  0.223829  0.946672  0.474318  1
  Ni  Ni30  1  0.001805  0.502445  0.449301  1
  Ni  Ni31  1  0.112820  0.224498  0.461806  1
  Ni  Ni32  1  0.890934  0.780441  0.436803  1
  Ni  Ni33  1  0.056835  0.112891  0.511857  1
  Ni  Ni34  1  0.834839  0.668722  0.486842  1
  Ni  Ni35  1  0.723802  0.946617  0.474337  1
  Ni  Ni36  1  0.945802  0.390799  0.499345  1
  Ni  Ni37  1  0.667810  0.834996  0.524361  1
  Ni  Ni38  1  0.445809  0.390814  0.499354  1
  Ni  Ni39  1  0.556772  0.112891  0.511857  1
  Ni  Ni40  1  0.334776  0.668722  0.486842  1
  Ni  Ni41  1  0.500677  1.001171  0.561895  1
  Ni  Ni42  1  0.278791  0.557114  0.536893  1
  Ni  Ni43  1  0.167783  0.834941  0.524381  1
  Ni  Ni44  1  0.389807  0.279167  0.549397  1
  Ni  Ni45  1  0.111794  0.723322  0.574488  1
  Ni  Ni46  1  0.889790  0.279133  0.549380  1
  Ni  Ni47  1  1.000846  1.001169  0.561895  1
  Ni  Ni48  1  0.778859  0.557115  0.536893  1
  Ni  Ni49  1  0.945325  0.889825  0.612019  1
  Ni  Ni50  1  0.722939  0.445463  0.586921  1
  Ni  Ni51  1  0.611942  0.723620  0.574393  1
  Ni  Ni52  1  0.833617  0.167157  0.599375  1
  Ni  Ni53  1  0.556248  0.612599  0.624276  1
  Ni  Ni54  1  0.333668  0.167267  0.599427  1
  Ni  Ni55  1  0.444489  0.889834  0.612018  1
  Ni  Ni56  1  0.222700  0.445460  0.586923  1
  Ni  Ni57  1  0.388793  0.779175  0.662139  1
  Ni  Ni58  1  0.166073  0.332953  0.636830  1
  Ni  Ni59  1  0.055749  0.611600  0.624647  1
  Ni  Ni60  1  0.278063  0.056460  0.649749  1
  Ni  Ni61  1  0.999362  0.499180  0.674632  1
  Ni  Ni62  1  0.777323  0.054936  0.649483  1
  Ni  Ni63  1  0.889979  0.779153  0.662143  1
  Ni  Ni64  1  0.666674  0.332959  0.636827  1
  Ni  Ni65  1  0.831906  0.660646  0.711728  1
  Ni  Ni66  1  0.614887  0.223239  0.687186  1
  Ni  Ni67  1  0.500636  0.501748  0.673415  1
  Ni  Ni68  1  0.720811  0.942303  0.700212  1
  Ni  Ni69  1  0.443354  0.387300  0.721803  1
  Ni  Ni70  1  0.222945  0.946617  0.700324  1
  Ni  Ni71  1  0.328136  0.660757  0.711723  1
  Ni  Ni72  1  0.107774  0.223263  0.687199  1
