# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25776855
_cell_length_b   4.82459540
_cell_length_c   46.51332518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.22834690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni34
_cell_volume   857.101116376
_cell_formula_units_Z   34
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  0.729026  0.800053  0.299776  1
  Ni  Ni2  1  0.836135  0.342647  0.289245  1
  Ni  Ni3  1  0.195906  0.720663  0.324328  1
  Ni  Ni4  1  0.294369  0.251546  0.311685  1
  Ni  Ni5  1  0.652744  0.635139  0.350152  1
  Ni  Ni6  1  0.757811  0.176354  0.338503  1
  Ni  Ni7  1  0.114812  0.558699  0.375869  1
  Ni  Ni8  1  0.218008  0.096724  0.363226  1
  Ni  Ni9  1  0.573691  0.476251  0.401691  1
  Ni  Ni10  1  0.679475  0.015703  0.389156  1
  Ni  Ni11  1  0.034017  0.396654  0.427447  1
  Ni  Ni12  1  0.140046  0.936189  0.414718  1
  Ni  Ni13  1  0.493908  0.316189  0.453212  1
  Ni  Ni14  1  0.600332  0.855918  0.440473  1
  Ni  Ni15  1  0.953972  0.236087  0.478953  1
  Ni  Ni16  1  0.060473  0.775880  0.466165  1
  Ni  Ni17  1  0.413965  0.155886  0.504685  1
  Ni  Ni18  1  0.520544  0.695740  0.491902  1
  Ni  Ni19  1  0.874035  0.075746  0.530422  1
  Ni  Ni20  1  0.980536  0.615539  0.517634  1
  Ni  Ni21  1  0.334176  0.995708  0.556114  1
  Ni  Ni22  1  0.440600  0.535437  0.543375  1
  Ni  Ni23  1  0.794463  0.915437  0.581869  1
  Ni  Ni24  1  0.900491  0.454972  0.569140  1
  Ni  Ni25  1  0.255033  0.835924  0.607431  1
  Ni  Ni26  1  0.360817  0.375375  0.594897  1
  Ni  Ni27  1  0.716501  0.754902  0.633361  1
  Ni  Ni28  1  0.819696  0.292927  0.620718  1
  Ni  Ni29  1  0.176698  0.675273  0.658084  1
  Ni  Ni30  1  0.281765  0.216487  0.646435  1
  Ni  Ni31  1  0.640139  0.600080  0.684902  1
  Ni  Ni32  1  0.738602  0.130964  0.672259  1
  Ni  Ni33  1  0.098373  0.508979  0.707343  1
  Ni  Ni34  1  0.205483  0.051574  0.696811  1
