data_[Co4Bi4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7781]
_cell_length_b [10.3882]
_cell_length_c [10.7042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CoBiBr5]
_chemical_formula_sum '[Co4 Bi4 Br20]'
_cell_volume [1041.4606]
_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  0.0000  0.1351  0.7500  1
  Bi  Bi1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.1107  0.2908  0.6699  1
  Br  Br3  8  0.1697  0.0203  0.9581  1
  Br  Br4  4  0.0000  0.3506  0.2500  1
]