data_[Tl6Cr4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4648]
_cell_length_b [11.1908]
_cell_length_c [7.6817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cr2InS6]
_chemical_formula_sum '[Tl6 Cr4 In2 S12]'
_cell_volume [533.9195]
_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
[
  Tl  Tl0  4  0.0000  0.1599  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3334  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2381  0.1781  0.1807  1.0
  S  S5  4  0.2025  0.5000  0.1737  1.0
]