# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47672855
_cell_length_b   4.79360597
_cell_length_c   47.83936692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.03144165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   548.698449429
_cell_formula_units_Z   22
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  0.421661  0.160417  0.295737  1
  Ni  Ni2  1  0.685886  0.632021  0.301805  1
  Ni  Ni3  1  0.028223  0.947303  0.335581  1
  Ni  Ni4  1  0.295643  0.412482  0.341286  1
  Ni  Ni5  1  0.636669  0.730399  0.375232  1
  Ni  Ni6  1  0.903235  0.197281  0.381640  1
  Ni  Ni7  1  0.243299  0.517123  0.415273  1
  Ni  Ni8  1  0.510651  0.982433  0.421723  1
  Ni  Ni9  1  0.850387  0.302932  0.455277  1
  Ni  Ni10  1  0.117779  0.768161  0.461789  1
  Ni  Ni11  1  0.457442  0.088808  0.495309  1
  Ni  Ni12  1  0.724888  0.553928  0.501827  1
  Ni  Ni13  1  0.064551  0.874574  0.535348  1
  Ni  Ni14  1  0.331943  0.339803  0.541860  1
  Ni  Ni15  1  0.671679  0.660303  0.575414  1
  Ni  Ni16  1  0.939031  0.125612  0.581863  1
  Ni  Ni17  1  0.279096  0.445454  0.615497  1
  Ni  Ni18  1  0.545662  0.912337  0.621904  1
  Ni  Ni19  1  0.886687  0.230253  0.655851  1
  Ni  Ni20  1  0.154107  0.695432  0.661556  1
  Ni  Ni21  1  0.496444  0.010715  0.695331  1
  Ni  Ni22  1  0.760669  0.482318  0.701400  1
