data_[Ti2Tl2Rh2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1325]
_cell_length_b [3.5538]
_cell_length_c [9.5687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiTlRhS3]
_chemical_formula_sum '[Ti2 Tl2 Rh2 S6]'
_cell_volume [256.5259]
_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  0.3087  0.7500  0.8427  1.0
  Tl  Tl1  2  0.2524  0.2500  0.2613  1.0
  Rh  Rh2  2  0.0923  0.2500  0.6072  1.0
  S  S3  2  0.1135  0.2500  0.8627  1.0
  S  S4  2  0.2518  0.7500  0.5771  1.0
  S  S5  2  0.4601  0.7500  0.1247  1.0
]