data_[Ce2Tl6Rh4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.2221]
_cell_length_b [10.8375]
_cell_length_c [8.4050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTl3(RhS3)2]
_chemical_formula_sum '[Ce2 Tl6 Rh4 S12]'
_cell_volume [542.2546]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1633  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Rh  Rh3  4  0.0000  0.3335  0.0000  1
  S  S4  8  0.2437  0.3130  0.8231  1
  S  S5  4  0.1928  0.5000  0.1751  1
]