data_[Bi16Ru4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.0923]
_cell_length_b [12.0923]
_cell_length_c [6.8701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Bi4RuBr2]
_chemical_formula_sum '[Bi16 Ru4 Br8]'
_cell_volume [1004.5705]
_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
[
  Bi  Bi0  8  0.0599  0.1686  0.5000  1.0
  Bi  Bi1  8  0.0779  0.8190  0.0000  1.0
  Ru  Ru2  4  0.0000  0.0000  0.2092  1.0
  Br  Br3  8  0.1323  0.3243  0.0000  1.0
]