# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48873786
_cell_length_b   12.72263453
_cell_length_c   46.93571440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2083.28565222
_cell_formula_units_Z   84
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  1.004211  0.618549  0.291396  1
  Ni  Ni2  1  1.004211  0.232535  0.311501  1
  Ni  Ni3  1  1.004211  0.844058  0.331696  1
  Ni  Ni4  1  0.504211  0.345303  0.332554  1
  Ni  Ni5  1  0.504211  0.118218  0.290744  1
  Ni  Ni6  1  0.504211  0.731446  0.311567  1
  Ni  Ni7  1  0.504211  0.537607  0.321524  1
  Ni  Ni8  1  0.504211  0.311404  0.281208  1
  Ni  Ni9  1  0.504211  0.924481  0.300916  1
  Ni  Ni10  1  1.004211  0.425769  0.301115  1
  Ni  Ni11  1  1.004211  0.038661  0.321646  1
  Ni  Ni12  1  1.004211  0.651709  0.342820  1
  Ni  Ni13  1  1.004211  0.460133  0.352972  1
  Ni  Ni14  1  1.004211  0.075483  0.373702  1
  Ni  Ni15  1  1.004211  0.690970  0.394716  1
  Ni  Ni16  1  0.504211  0.190805  0.394685  1
  Ni  Ni17  1  0.504211  0.960001  0.352606  1
  Ni  Ni18  1  0.504211  0.575291  0.373833  1
  Ni  Ni19  1  0.504211  0.383260  0.384454  1
  Ni  Ni20  1  0.504211  0.153028  0.342425  1
  Ni  Ni21  1  0.504211  0.767746  0.363277  1
  Ni  Ni22  1  1.004211  0.267829  0.363579  1
  Ni  Ni23  1  1.004211  0.883128  0.383961  1
  Ni  Ni24  1  1.004211  0.498653  0.405143  1
  Ni  Ni25  1  1.004211  0.306215  0.415637  1
  Ni  Ni26  1  1.004211  0.921580  0.436253  1
  Ni  Ni27  1  1.004211  0.537044  0.457250  1
  Ni  Ni28  1  0.504211  0.036914  0.457169  1
  Ni  Ni29  1  0.504211  0.806335  0.415435  1
  Ni  Ni30  1  0.504211  0.421674  0.436465  1
  Ni  Ni31  1  0.504211  0.229233  0.446830  1
  Ni  Ni32  1  0.504211  0.998416  0.404928  1
  Ni  Ni33  1  0.504211  0.613989  0.425964  1
  Ni  Ni34  1  1.004211  0.113816  0.425897  1
  Ni  Ni35  1  1.004211  0.729386  0.446792  1
  Ni  Ni36  1  1.004211  0.344656  0.467712  1
  Ni  Ni37  1  1.004211  0.152295  0.478084  1
  Ni  Ni38  1  1.004211  0.767805  0.498914  1
  Ni  Ni39  1  1.004211  0.383071  0.519807  1
  Ni  Ni40  1  0.504211  0.883190  0.519792  1
  Ni  Ni41  1  0.504211  0.652414  0.478069  1
  Ni  Ni42  1  0.504211  0.267680  0.498963  1
  Ni  Ni43  1  0.504211  0.075418  0.509391  1
  Ni  Ni44  1  0.504211  0.844733  0.467612  1
  Ni  Ni45  1  0.504211  0.460056  0.488536  1
  Ni  Ni46  1  1.004211  0.960067  0.488486  1
  Ni  Ni47  1  1.004211  0.575429  0.509340  1
  Ni  Ni48  1  1.004211  0.190752  0.530265  1
  Ni  Ni49  1  1.004211  -0.001429  0.540708  1
  Ni  Ni50  1  1.004211  0.613811  0.561412  1
  Ni  Ni51  1  1.004211  0.229150  0.582442  1
  Ni  Ni52  1  0.504211  0.729270  0.582239  1
  Ni  Ni53  1  0.504211  0.498441  0.540626  1
  Ni  Ni54  1  0.504211  0.113905  0.561624  1
  Ni  Ni55  1  0.504211  0.921670  0.571980  1
  Ni  Ni56  1  0.504211  0.690829  0.530165  1
  Ni  Ni57  1  0.504211  0.306099  0.551084  1
  Ni  Ni58  1  1.004211  0.806252  0.551047  1
  Ni  Ni59  1  1.004211  0.421496  0.571913  1
  Ni  Ni60  1  1.004211  0.037069  0.592948  1
  Ni  Ni61  1  1.004211  0.844680  0.603192  1
  Ni  Ni62  1  1.004211  0.460194  0.624044  1
  Ni  Ni63  1  1.004211  0.075484  0.645271  1
  Ni  Ni64  1  0.504211  0.575352  0.644905  1
  Ni  Ni65  1  0.504211  0.344515  0.603161  1
  Ni  Ni66  1  0.504211  0.960002  0.624175  1
  Ni  Ni67  1  0.504211  0.767656  0.634298  1
  Ni  Ni68  1  0.504211  0.536832  0.592734  1
  Ni  Ni69  1  0.504211  0.152357  0.613916  1
  Ni  Ni70  1  1.004211  0.652225  0.613423  1
  Ni  Ni71  1  1.004211  0.267739  0.634600  1
  Ni  Ni72  1  1.004211  0.882457  0.655452  1
  Ni  Ni73  1  1.004211  0.690182  0.665323  1
  Ni  Ni74  1  1.004211  0.304039  0.686310  1
  Ni  Ni75  1  1.004211  0.917267  0.707133  1
  Ni  Ni76  1  0.504211  0.416936  0.706481  1
  Ni  Ni77  1  0.504211  0.191427  0.666181  1
  Ni  Ni78  1  0.504211  0.802950  0.686376  1
  Ni  Ni79  1  0.504211  0.609716  0.696761  1
  Ni  Ni80  1  0.504211  0.383776  0.655057  1
  Ni  Ni81  1  0.504211  0.996824  0.676231  1
  Ni  Ni82  1  1.004211  0.497878  0.676352  1
  Ni  Ni83  1  1.004211  0.111004  0.696961  1
  Ni  Ni84  1  1.004211  0.724081  0.716668  1
