# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47952821
_cell_length_b   4.10745968
_cell_length_c   47.33711136
_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   Ni20
_cell_volume   482.107753394
_cell_formula_units_Z   20
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  1.000679  0.751145  0.302327  1
  Ni  Ni2  1  0.500679  0.251145  0.287876  1
  Ni  Ni3  1  0.500679  0.751145  0.347976  1
  Ni  Ni4  1  1.000679  0.251145  0.333220  1
  Ni  Ni5  1  1.000679  0.751145  0.393527  1
  Ni  Ni6  1  0.500679  0.251145  0.378472  1
  Ni  Ni7  1  0.500679  0.751145  0.439036  1
  Ni  Ni8  1  1.000679  0.251145  0.423883  1
  Ni  Ni9  1  1.000679  0.751145  0.484522  1
  Ni  Ni10  1  0.500679  0.251145  0.469337  1
  Ni  Ni11  1  0.500679  0.751145  0.529995  1
  Ni  Ni12  1  1.000679  0.251145  0.514810  1
  Ni  Ni13  1  1.000679  0.751145  0.575450  1
  Ni  Ni14  1  0.500679  0.251145  0.560297  1
  Ni  Ni15  1  0.500679  0.751145  0.620860  1
  Ni  Ni16  1  1.000679  0.251145  0.605805  1
  Ni  Ni17  1  1.000679  0.751145  0.666113  1
  Ni  Ni18  1  0.500679  0.251145  0.651357  1
  Ni  Ni19  1  0.500679  0.751145  0.711456  1
  Ni  Ni20  1  1.000679  0.251145  0.697005  1
