# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93644025
_cell_length_b   4.79174601
_cell_length_c   47.73342863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.01139201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1908.38436887
_cell_formula_units_Z   78
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  0.729107  0.392500  0.293326  1
  Ni  Ni2  1  0.008708  0.339691  0.304546  1
  Ni  Ni3  1  0.446838  0.451200  0.282522  1
  Ni  Ni4  1  0.799162  0.855458  0.302555  1
  Ni  Ni5  1  0.242898  0.966033  0.281083  1
  Ni  Ni6  1  0.521591  0.905722  0.291411  1
  Ni  Ni7  1  0.569630  0.237144  0.327877  1
  Ni  Ni8  1  0.850397  0.181286  0.339168  1
  Ni  Ni9  1  0.288380  0.295552  0.316262  1
  Ni  Ni10  1  0.639811  0.690660  0.336719  1
  Ni  Ni11  1  0.080471  0.798485  0.313563  1
  Ni  Ni12  1  0.360544  0.749156  0.325859  1
  Ni  Ni13  1  0.409283  0.078323  0.362036  1
  Ni  Ni14  1  0.689419  0.022289  0.373489  1
  Ni  Ni15  1  0.129628  0.128668  0.350044  1
  Ni  Ni16  1  0.476552  0.534074  0.371589  1
  Ni  Ni17  1  0.918388  0.638048  0.347967  1
  Ni  Ni18  1  0.196362  0.587620  0.359807  1
  Ni  Ni19  1  0.247610  0.918831  0.396353  1
  Ni  Ni20  1  0.527173  0.865856  0.408031  1
  Ni  Ni21  1  0.968593  0.969963  0.384924  1
  Ni  Ni22  1  0.314114  0.375434  0.405958  1
  Ni  Ni23  1  0.755875  0.480083  0.382889  1
  Ni  Ni24  1  0.035003  0.426826  0.394225  1
  Ni  Ni25  1  0.085979  0.759432  0.430934  1
  Ni  Ni26  1  0.365279  0.707189  0.442454  1
  Ni  Ni27  1  0.806816  0.812010  0.419503  1
  Ni  Ni28  1  0.152437  0.216127  0.440413  1
  Ni  Ni29  1  0.593916  0.321654  0.417478  1
  Ni  Ni30  1  0.873296  0.268715  0.428930  1
  Ni  Ni31  1  0.924201  0.601006  0.465515  1
  Ni  Ni32  1  0.203477  0.548436  0.476994  1
  Ni  Ni33  1  0.644783  0.653990  0.454005  1
  Ni  Ni34  1  0.990700  0.057493  0.474985  1
  Ni  Ni35  1  0.431809  0.163582  0.451992  1
  Ni  Ni36  1  0.711330  0.110350  0.463494  1
  Ni  Ni37  1  0.762291  0.442639  0.500027  1
  Ni  Ni38  1  0.041706  0.389781  0.511549  1
  Ni  Ni39  1  0.482834  0.495714  0.488509  1
  Ni  Ni40  1  0.828848  0.898990  0.509530  1
  Ni  Ni41  1  0.269976  0.004923  0.486490  1
  Ni  Ni42  1  0.549392  0.952065  0.498012  1
  Ni  Ni43  1  0.600353  0.284354  0.534545  1
  Ni  Ni44  1  0.879874  0.231122  0.546048  1
  Ni  Ni45  1  0.320983  0.337211  0.523054  1
  Ni  Ni46  1  0.666900  0.740714  0.544034  1
  Ni  Ni47  1  0.108206  0.846268  0.521046  1
  Ni  Ni48  1  0.387482  0.793698  0.532524  1
  Ni  Ni49  1  0.438386  0.125989  0.569110  1
  Ni  Ni50  1  0.717766  0.073050  0.580561  1
  Ni  Ni51  1  0.159246  0.178577  0.557626  1
  Ni  Ni52  1  0.504867  0.582694  0.578537  1
  Ni  Ni53  1  0.946404  0.687515  0.555585  1
  Ni  Ni54  1  0.225704  0.635272  0.567105  1
  Ni  Ni55  1  0.276680  0.967878  0.603815  1
  Ni  Ni56  1  0.555808  0.914621  0.615150  1
  Ni  Ni57  1  0.997569  0.019270  0.592081  1
  Ni  Ni58  1  0.343090  0.424741  0.613115  1
  Ni  Ni59  1  0.784510  0.528848  0.590008  1
  Ni  Ni60  1  0.064073  0.475873  0.601686  1
  Ni  Ni61  1  0.115321  0.807084  0.638233  1
  Ni  Ni62  1  0.393295  0.756656  0.650072  1
  Ni  Ni63  1  0.835131  0.860630  0.626450  1
  Ni  Ni64  1  0.182054  0.266036  0.647995  1
  Ni  Ni65  1  0.622264  0.372415  0.624550  1
  Ni  Ni66  1  0.902400  0.316381  0.636003  1
  Ni  Ni67  1  0.951139  0.645548  0.672180  1
  Ni  Ni68  1  0.231212  0.596219  0.684477  1
  Ni  Ni69  1  0.671872  0.704044  0.661320  1
  Ni  Ni70  1  0.023303  0.099152  0.681777  1
  Ni  Ni71  1  0.461286  0.213418  0.658871  1
  Ni  Ni72  1  0.742053  0.157560  0.670162  1
  Ni  Ni73  1  0.790091  0.488982  0.706628  1
  Ni  Ni74  1  0.068785  0.428671  0.716956  1
  Ni  Ni75  1  0.512521  0.539246  0.695484  1
  Ni  Ni76  1  0.864845  0.943504  0.715517  1
  Ni  Ni77  1  0.302974  0.055012  0.693493  1
  Ni  Ni78  1  0.582575  0.002204  0.704713  1
