data_[Ba12Rh2S4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9834]
_cell_length_b [13.7917]
_cell_length_c [8.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6RhS2Cl3]
_chemical_formula_sum '[Ba12 Rh2 S4 Cl6]'
_cell_volume [837.3215]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  8  0.2354  0.1608  0.2222  1.0
  Ba  Ba1  4  0.2489  0.0000  0.7747  1.0
  Rh  Rh2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.3333  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1736  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]