data_[Cu4Ni8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8623]
_cell_length_b [3.8387]
_cell_length_c [16.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CuNi2Bi]
_chemical_formula_sum '[Cu4 Ni8 Bi4]'
_cell_volume [243.5030]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  2  0.5000  0.0000  0.0090  1.0
  Cu  Cu1  2  0.5000  0.0000  0.4149  1.0
  Ni  Ni2  2  0.0000  0.0000  0.3154  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5096  1.0
  Ni  Ni4  2  0.0000  0.0000  0.9119  1.0
  Ni  Ni5  2  0.5000  0.0000  0.6068  1.0
  Bi  Bi6  2  0.0000  0.0000  0.1403  1.0
  Bi  Bi7  2  0.5000  0.0000  0.7830  1.0
]