data_[Th4Tl8Cu4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5408]
_cell_length_b [12.4433]
_cell_length_c [8.1933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.9496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ThTl2CuS4]
_chemical_formula_sum '[Th4 Tl8 Cu4 S16]'
_cell_volume [847.0995]
_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
[
  Th  Th0  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.5000  0.0000  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Cu  Cu3  4  0.2500  0.2500  0.5000  1
  S  S4  8  0.0497  0.2308  0.4946  1
  S  S5  8  0.2186  0.0088  0.9655  1
]