data_[Mn4Bi4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [10.9245]
_cell_length_b [10.6180]
_cell_length_c [10.7891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnBiBr5]
_chemical_formula_sum '[Mn4 Bi4 Br20]'
_cell_volume [1088.7503]
_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
[
  Mn  Mn0  4  0.0000  0.3703  0.7500  1
  Bi  Bi1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.1142  0.7913  0.1688  1
  Br  Br3  8  0.1772  0.4846  0.9666  1
  Br  Br4  4  0.0000  0.1595  0.2500  1
]