data_[Ti2Ag4Rh4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  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 [6.1019]
_cell_length_b [10.0884]
_cell_length_c [7.4868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiAg2(RhS3)2]
_chemical_formula_sum '[Ti2 Ag4 Rh4 S12]'
_cell_volume [427.3719]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1871  0.0000  1.0
  Rh  Rh2  4  0.0000  0.1681  0.5000  1.0
  S  S3  8  0.0876  0.3277  0.3046  1.0
  S  S4  4  0.0786  0.0000  0.2945  1.0
]