data_[Rh4S8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6097]
_cell_length_b [6.3371]
_cell_length_c [11.9684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RhS2Br]
_chemical_formula_sum '[Rh4 S8 Br4]'
_cell_volume [375.7299]
_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
[
  Rh  Rh0  4  0.1523  0.5643  0.4025  1.0
  S  S1  4  0.2039  0.1827  0.0600  1.0
  S  S2  4  0.4763  0.5649  0.6198  1.0
  Br  Br3  4  0.1774  0.5602  0.8226  1.0
]