data_[Cs4K2Tl4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4340]
_cell_length_b [4.7010]
_cell_length_c [8.1777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K(TlS2)2]
_chemical_formula_sum '[Cs4 K2 Tl4 S8]'
_cell_volume [631.6298]
_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
[
  Cs  Cs0  4  0.1213  0.0000  0.5326  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1663  0.5000  0.9948  1.0
  S  S3  4  0.0325  0.5000  0.7522  1.0
  S  S4  4  0.2113  0.0000  0.1666  1.0
]