data_[Rb12Rh4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [8.8456]
_cell_length_b [13.6237]
_cell_length_c [7.6631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3RhS3]
_chemical_formula_sum '[Rb12 Rh4 S12]'
_cell_volume [910.9769]
_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
[
  Rb  Rb0  4  0.0000  0.1798  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2367  0.0000  1.0
  Rb  Rb2  4  0.1148  0.5000  0.3344  1.0
  Rh  Rh3  4  0.1793  0.0000  0.1570  1.0
  S  S4  8  0.1980  0.3589  0.7207  1.0
  S  S5  4  0.0793  0.0000  0.8633  1.0
]