data_[Ni2Sn2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0605]
_cell_length_b [5.2217]
_cell_length_c [6.7029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiSnBi]
_chemical_formula_sum '[Ni2 Sn2 Bi2]'
_cell_volume [139.2890]
_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
[
  Ni  Ni0  2  0.5000  0.0000  0.5000  1
  Sn  Sn1  2  0.0494  0.7500  0.6577  1
  Bi  Bi2  2  0.3756  0.7500  0.1446  1
]