data_[Co4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7554]
_cell_length_b [3.6680]
_cell_length_c [7.6074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoBi]
_chemical_formula_sum '[Co4 Bi4]'
_cell_volume [178.6783]
_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  0.2609  0.0000  0.9959  1
  Co  Co1  2  0.3971  0.5000  0.8900  1
  Bi  Bi2  2  0.0292  0.0000  0.2552  1
  Bi  Bi3  2  0.4978  0.0000  0.6809  1
]