data_[K4Tl6Re2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4362]
_cell_length_b [13.2990]
_cell_length_c [7.0275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3ReS6]
_chemical_formula_sum '[K4 Tl6 Re2 S12]'
_cell_volume [648.9431]
_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
[
  K  K0  4  0.0000  0.3255  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1447  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Re  Re3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2014  0.1252  0.2185  1.0
  S  S5  4  0.1997  0.0000  0.7927  1.0
]