# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08126402
_cell_length_b   10.80316881
_cell_length_c   46.09796497
_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   2032.48620358
_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  0.250843  0.520533  0.297604  1
  Ni  Ni2  1  0.250843  0.301231  0.277232  1
  Ni  Ni3  1  0.250843  0.913809  0.287452  1
  Ni  Ni4  1  0.750843  0.381976  0.301435  1
  Ni  Ni5  1  0.750843  0.165995  0.280604  1
  Ni  Ni6  1  0.750843  0.773807  0.291182  1
  Ni  Ni7  1  0.250843  0.333210  0.330006  1
  Ni  Ni8  1  0.250843  0.121972  0.309559  1
  Ni  Ni9  1  0.250843  0.729228  0.319861  1
  Ni  Ni10  1  0.750843  0.199203  0.333807  1
  Ni  Ni11  1  0.750843  0.984864  0.313031  1
  Ni  Ni12  1  0.750843  0.591871  0.323627  1
  Ni  Ni13  1  0.250843  0.147833  0.362731  1
  Ni  Ni14  1  0.250843  0.936733  0.341280  1
  Ni  Ni15  1  0.250843  0.542377  0.351678  1
  Ni  Ni16  1  0.750843  0.015281  0.366374  1
  Ni  Ni17  1  0.750843  0.803588  0.344819  1
  Ni  Ni18  1  0.750843  0.409395  0.355395  1
  Ni  Ni19  1  0.250843  0.963132  0.394993  1
  Ni  Ni20  1  0.250843  0.752324  0.373534  1
  Ni  Ni21  1  0.250843  0.358089  0.384055  1
  Ni  Ni22  1  0.750843  0.830912  0.398598  1
  Ni  Ni23  1  0.750843  0.620066  0.377104  1
  Ni  Ni24  1  0.750843  0.225780  0.387785  1
  Ni  Ni25  1  0.250843  0.778810  0.427251  1
  Ni  Ni26  1  0.250843  0.568203  0.405671  1
  Ni  Ni27  1  0.250843  0.173751  0.416449  1
  Ni  Ni28  1  0.750843  0.646661  0.430847  1
  Ni  Ni29  1  0.750843  0.436063  0.409292  1
  Ni  Ni30  1  0.750843  0.041560  0.420116  1
  Ni  Ni31  1  0.250843  0.594610  0.459483  1
  Ni  Ni32  1  0.250843  0.384130  0.437933  1
  Ni  Ni33  1  0.250843  0.989414  0.448744  1
  Ni  Ni34  1  0.750843  0.462490  0.463100  1
  Ni  Ni35  1  0.750843  0.252013  0.441601  1
  Ni  Ni36  1  0.750843  0.857268  0.452376  1
  Ni  Ni37  1  0.250843  0.410428  0.491743  1
  Ni  Ni38  1  0.250843  0.199929  0.470235  1
  Ni  Ni39  1  0.250843  0.805168  0.481019  1
  Ni  Ni40  1  0.750843  0.278306  0.495387  1
  Ni  Ni41  1  0.750843  0.067799  0.473891  1
  Ni  Ni42  1  0.750843  0.673037  0.484633  1
  Ni  Ni43  1  0.250843  0.226201  0.524018  1
  Ni  Ni44  1  0.250843  0.015694  0.502522  1
  Ni  Ni45  1  0.250843  0.620963  0.513276  1
  Ni  Ni46  1  0.750843  0.094071  0.527674  1
  Ni  Ni47  1  0.750843  0.883572  0.506166  1
  Ni  Ni48  1  0.750843  0.488832  0.516890  1
  Ni  Ni49  1  0.250843  0.041988  0.556308  1
  Ni  Ni50  1  0.250843  0.831511  0.534808  1
  Ni  Ni51  1  0.250843  0.436733  0.545533  1
  Ni  Ni52  1  0.750843  0.909870  0.559975  1
  Ni  Ni53  1  0.750843  0.699390  0.538426  1
  Ni  Ni54  1  0.750843  0.304586  0.549165  1
  Ni  Ni55  1  0.250843  0.857938  0.588617  1
  Ni  Ni56  1  0.250843  0.647339  0.567061  1
  Ni  Ni57  1  0.250843  0.252440  0.577793  1
  Ni  Ni58  1  0.750843  0.725797  0.592238  1
  Ni  Ni59  1  0.750843  0.515190  0.570658  1
  Ni  Ni60  1  0.750843  0.120250  0.581460  1
  Ni  Ni61  1  0.250843  0.673935  0.620805  1
  Ni  Ni62  1  0.250843  0.463088  0.599311  1
  Ni  Ni63  1  0.250843  0.068221  0.610124  1
  Ni  Ni64  1  0.750843  0.541676  0.624375  1
  Ni  Ni65  1  0.750843  0.330868  0.602915  1
  Ni  Ni66  1  0.750843  0.935911  0.613854  1
  Ni  Ni67  1  0.250843  0.490412  0.653089  1
  Ni  Ni68  1  0.250843  0.278720  0.631535  1
  Ni  Ni69  1  0.250843  0.884605  0.642514  1
  Ni  Ni70  1  0.750843  0.357267  0.656628  1
  Ni  Ni71  1  0.750843  0.146167  0.635178  1
  Ni  Ni72  1  0.750843  0.751624  0.646230  1
  Ni  Ni73  1  0.250843  0.309136  0.684877  1
  Ni  Ni74  1  0.250843  0.094797  0.664102  1
  Ni  Ni75  1  0.250843  0.702129  0.674281  1
  Ni  Ni76  1  0.750843  0.172028  0.688350  1
  Ni  Ni77  1  0.750843  0.960791  0.667903  1
  Ni  Ni78  1  0.750843  0.564773  0.678048  1
  Ni  Ni79  1  0.250843  0.128005  0.717305  1
  Ni  Ni80  1  0.250843  0.912024  0.696474  1
  Ni  Ni81  1  0.250843  0.520193  0.706726  1
  Ni  Ni82  1  0.750843  0.992770  0.720677  1
  Ni  Ni83  1  0.750843  0.773468  0.700305  1
  Ni  Ni84  1  0.750843  0.380191  0.710456  1
