data_[Co4Ni4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9599]
_cell_length_b [4.0615]
_cell_length_c [12.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CoNiBi]
_chemical_formula_sum '[Co4 Ni4 Bi4]'
_cell_volume [198.3201]
_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
[
  Co  Co0  2  0.0000  0.0000  0.4633  1
  Co  Co1  2  0.0000  0.5000  0.8587  1
  Ni  Ni2  2  0.0000  0.0000  0.2387  1
  Ni  Ni3  2  0.0000  0.5000  0.3544  1
  Bi  Bi4  2  0.0000  0.0000  0.0153  1
  Bi  Bi5  2  0.0000  0.0000  0.6969  1
]