# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96417184
_cell_length_b   7.83269185
_cell_length_c   46.93686849
_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   1731.38325684
_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  0.947488  0.391192  0.277509  1
  Ni  Ni2  1  0.169880  0.835853  0.299255  1
  Ni  Ni3  1  0.284131  0.559586  0.312062  1
  Ni  Ni4  1  0.061920  0.118166  0.287922  1
  Ni  Ni5  1  0.779268  0.559603  0.312072  1
  Ni  Ni6  1  0.560124  0.118242  0.287917  1
  Ni  Ni7  1  0.892137  0.280569  0.325638  1
  Ni  Ni8  1  0.671683  0.839490  0.299470  1
  Ni  Ni9  1  0.393637  0.283577  0.324292  1
  Ni  Ni10  1  0.615364  0.727157  0.349581  1
  Ni  Ni11  1  0.725939  0.449185  0.362204  1
  Ni  Ni12  1  0.502776  0.003411  0.337013  1
  Ni  Ni13  1  0.226765  0.449189  0.362201  1
  Ni  Ni14  1  0.004270  0.003392  0.337016  1
  Ni  Ni15  1  0.337155  0.170869  0.374453  1
  Ni  Ni16  1  0.114720  0.725834  0.349359  1
  Ni  Ni17  1  0.836597  0.169755  0.374881  1
  Ni  Ni18  1  0.059073  0.614824  0.399702  1
  Ni  Ni19  1  0.170165  0.336803  0.412245  1
  Ni  Ni20  1  0.948294  0.892410  0.387135  1
  Ni  Ni21  1  0.669884  0.336801  0.412246  1
  Ni  Ni22  1  0.447500  0.892418  0.387134  1
  Ni  Ni23  1  0.780889  0.058596  0.424819  1
  Ni  Ni24  1  0.559168  0.615021  0.399757  1
  Ni  Ni25  1  0.281059  0.058936  0.424704  1
  Ni  Ni26  1  0.503054  0.503060  0.449849  1
  Ni  Ni27  1  0.613989  0.225076  0.462362  1
  Ni  Ni28  1  0.391955  0.780987  0.437313  1
  Ni  Ni29  1  0.114072  0.225077  0.462361  1
  Ni  Ni30  1  0.892150  0.780985  0.437313  1
  Ni  Ni31  1  0.225070  0.947221  0.474890  1
  Ni  Ni32  1  0.003028  0.503004  0.449829  1
  Ni  Ni33  1  0.725036  0.947153  0.474914  1
  Ni  Ni34  1  0.947054  0.391320  0.499957  1
  Ni  Ni35  1  0.058104  0.113412  0.512492  1
  Ni  Ni36  1  0.836090  0.669252  0.487433  1
  Ni  Ni37  1  0.558029  0.113412  0.512492  1
  Ni  Ni38  1  0.336015  0.669252  0.487433  1
  Ni  Ni39  1  0.669083  0.835511  0.525011  1
  Ni  Ni40  1  0.447065  0.391344  0.499968  1
  Ni  Ni41  1  0.169049  0.835443  0.525035  1
  Ni  Ni42  1  0.391091  0.279660  0.550096  1
  Ni  Ni43  1  0.501969  1.001679  0.562612  1
  Ni  Ni44  1  0.280047  0.557587  0.537564  1
  Ni  Ni45  1  1.002164  1.001677  0.562612  1
  Ni  Ni46  1  0.780130  0.557588  0.537563  1
  Ni  Ni47  1  0.113060  0.723727  0.575220  1
  Ni  Ni48  1  0.891065  0.279604  0.550076  1
  Ni  Ni49  1  0.613230  0.724068  0.575106  1
  Ni  Ni50  1  0.834951  0.167643  0.600168  1
  Ni  Ni51  1  0.946619  0.890245  0.612790  1
  Ni  Ni52  1  0.724235  0.445862  0.587679  1
  Ni  Ni53  1  0.445825  0.890253  0.612790  1
  Ni  Ni54  1  0.223954  0.445861  0.587680  1
  Ni  Ni55  1  0.557522  0.612909  0.625044  1
  Ni  Ni56  1  0.335046  0.167839  0.600223  1
  Ni  Ni57  1  0.056964  0.611794  0.625472  1
  Ni  Ni58  1  0.279399  0.056830  0.650565  1
  Ni  Ni59  1  0.389849  0.779272  0.662909  1
  Ni  Ni60  1  0.167354  0.333474  0.637724  1
  Ni  Ni61  1  0.891343  0.779253  0.662912  1
  Ni  Ni62  1  0.668180  0.333479  0.637721  1
  Ni  Ni63  1  1.000482  0.499086  0.675633  1
  Ni  Ni64  1  0.778755  0.055506  0.650344  1
  Ni  Ni65  1  0.501982  0.502095  0.674287  1
  Ni  Ni66  1  0.722436  0.943174  0.700455  1
  Ni  Ni67  1  0.833995  0.664421  0.712008  1
  Ni  Ni68  1  0.614851  0.223061  0.687853  1
  Ni  Ni69  1  0.332199  0.664497  0.712003  1
  Ni  Ni70  1  0.109988  0.223078  0.687863  1
  Ni  Ni71  1  0.446631  0.391472  0.722416  1
  Ni  Ni72  1  0.224239  0.946810  0.700670  1
