data_[Tl8Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.7428]
_cell_length_b [3.9176]
_cell_length_c [7.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SnS3]
_chemical_formula_sum '[Tl8 Sn4 S12]'
_cell_volume [701.8875]
_cell_formula_units_Z [4]
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  0.0129  0.5000  0.2516  1.0
  Tl  Tl1  4  0.1580  0.5000  0.7604  1.0
  Sn  Sn2  4  0.1503  0.0000  0.2581  1.0
  S  S3  4  0.0883  0.0000  0.0038  1.0
  S  S4  4  0.0893  0.0000  0.5081  1.0
  S  S5  4  0.2154  0.5000  0.2590  1.0
]