data_[Tl8Te4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0798]
_cell_length_b [7.4896]
_cell_length_c [8.4198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl4Te2S5]
_chemical_formula_sum '[Tl8 Te4 S10]'
_cell_volume [704.8315]
_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  2  0.0630  0.0000  0.9956  1
  Tl  Tl1  2  0.1240  0.5000  0.2527  1
  Tl  Tl2  2  0.3195  0.0000  0.7427  1
  Tl  Tl3  2  0.4939  0.5000  0.3674  1
  Te  Te4  2  0.1657  0.5000  0.8069  1
  Te  Te5  2  0.3725  0.0000  0.3740  1
  S  S6  4  0.0236  0.2606  0.7073  1
  S  S7  4  0.2971  0.2481  0.1729  1
  S  S8  2  0.2770  0.5000  0.6289  1
]