data_[Co4Bi8]
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 [C2/m]
_cell_length_a [13.1472]
_cell_length_b [4.0419]
_cell_length_c [5.5937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoBi2]
_chemical_formula_sum '[Co4 Bi8]'
_cell_volume [292.8992]
_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  4  0.2338  0.0000  0.8451  1.0
  Bi  Bi1  4  0.0981  0.5000  0.8168  1.0
  Bi  Bi2  4  0.1601  0.0000  0.3310  1.0
]