data_[Nb2Ni2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.3851]
_cell_length_b [5.4715]
_cell_length_c [6.5917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbNiBi]
_chemical_formula_sum '[Nb2 Ni2 Bi2]'
_cell_volume [121.8641]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  2  0.5000  0.0000  0.5000  1
  Ni  Ni1  2  0.0235  0.7500  0.7330  1
  Bi  Bi2  2  0.0512  0.2500  0.8337  1
]