data_[U2Tl6Cu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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/m]
_cell_length_a [6.1031]
_cell_length_b [14.4912]
_cell_length_c [7.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTl3(CuS3)2]
_chemical_formula_sum '[U2 Tl6 Cu4 S12]'
_cell_volume [598.5432]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1784  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Cu  Cu3  4  0.0000  0.4099  0.0000  1
  S  S4  8  0.2214  0.3668  0.8140  1
  S  S5  4  0.2048  0.0000  0.7463  1
]