# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29571379
_cell_length_b   4.77813385
_cell_length_c   45.32570520
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.77228825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni34
_cell_volume   830.604427571
_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  0.963198  0.792950  0.294809  1
  Ni  Ni2  1  0.093135  0.345901  0.282920  1
  Ni  Ni3  1  0.434541  0.713839  0.321508  1
  Ni  Ni4  1  0.545171  0.245906  0.308183  1
  Ni  Ni5  1  0.894447  0.625324  0.347390  1
  Ni  Ni6  1  0.006983  0.170110  0.334923  1
  Ni  Ni7  1  0.354860  0.542227  0.374114  1
  Ni  Ni8  1  0.460792  0.083770  0.361000  1
  Ni  Ni9  1  0.812860  0.456865  0.400355  1
  Ni  Ni10  1  0.918360  0.998526  0.387295  1
  Ni  Ni11  1  0.270457  0.371984  0.426749  1
  Ni  Ni12  1  0.376269  0.914468  0.413645  1
  Ni  Ni13  1  0.728231  0.287246  0.453082  1
  Ni  Ni14  1  0.833804  0.829407  0.439944  1
  Ni  Ni15  1  0.185808  0.202359  0.479422  1
  Ni  Ni16  1  0.291515  0.744719  0.466282  1
  Ni  Ni17  1  0.643452  0.117578  0.505758  1
  Ni  Ni18  1  0.749115  0.659887  0.492611  1
  Ni  Ni19  1  0.101052  0.032746  0.532087  1
  Ni  Ni20  1  0.206759  0.575106  0.518947  1
  Ni  Ni21  1  0.558763  0.948058  0.558424  1
  Ni  Ni22  1  0.664335  0.490219  0.545287  1
  Ni  Ni23  1  0.016297  0.862997  0.584724  1
  Ni  Ni24  1  0.122110  0.405482  0.571620  1
  Ni  Ni25  1  0.474207  0.778939  0.611074  1
  Ni  Ni26  1  0.579707  0.320601  0.598014  1
  Ni  Ni27  1  0.931775  0.693696  0.637368  1
  Ni  Ni28  1  0.037707  0.235238  0.624255  1
  Ni  Ni29  1  0.385583  0.607355  0.663446  1
  Ni  Ni30  1  0.498120  0.152141  0.650979  1
  Ni  Ni31  1  0.847396  0.531559  0.690186  1
  Ni  Ni32  1  0.958025  0.063626  0.676860  1
  Ni  Ni33  1  0.299432  0.431565  0.715449  1
  Ni  Ni34  1  0.429369  0.984515  0.703560  1
