data_[Ta4Tl4Rh2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [C2/m]
_cell_length_a [5.7538]
_cell_length_b [10.4981]
_cell_length_c [8.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Tl2RhS6]
_chemical_formula_sum '[Ta4 Tl4 Rh2 S12]'
_cell_volume [522.6977]
_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
[
  Ta  Ta0  4  0.0000  0.3609  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1610  0.0000  1.0
  Rh  Rh2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.1837  0.1705  0.6605  1.0
  S  S4  4  0.2163  0.5000  0.6905  1.0
]