data_[U2Tl2Cu2S8]
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 [P2_1/m]
_cell_length_a [6.3226]
_cell_length_b [6.0026]
_cell_length_c [8.8839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UTlCuS4]
_chemical_formula_sum '[U2 Tl2 Cu2 S8]'
_cell_volume [320.4696]
_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  0.2465  0.2500  0.5562  1
  Tl  Tl1  2  0.2633  0.2500  0.0574  1
  Cu  Cu2  2  0.2311  0.7500  0.3414  1
  S  S3  4  0.0286  0.5190  0.6949  1
  S  S4  2  0.4420  0.7500  0.1767  1
  S  S5  2  0.4570  0.7500  0.5931  1
]