data_[Bi8Rh12S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4861]
_cell_length_b [8.4219]
_cell_length_c [8.1282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.4508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2Rh3S2]
_chemical_formula_sum '[Bi8 Rh12 S8]'
_cell_volume [570.8081]
_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  4  0.0012  0.5000  0.7521  1.0
  Bi  Bi1  4  0.0072  0.0000  0.7557  1.0
  Rh  Rh2  4  0.0000  0.2483  0.0000  1.0
  Rh  Rh3  4  0.2438  0.0000  0.2409  1.0
  Rh  Rh4  4  0.2500  0.2500  0.0000  1.0
  S  S5  8  0.2255  0.2292  0.6932  1.0
]