data_[U8Tl8S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9208]
_cell_length_b [7.5299]
_cell_length_c [7.5293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [U2Tl2S5]
_chemical_formula_sum '[U8 Tl8 S20]'
_cell_volume [902.6232]
_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
[
  U  U0  8  0.0000  0.1610  0.6609  1
  Tl  Tl1  8  0.2009  0.0000  0.0000  1
  S  S2  16  0.1081  0.1461  0.3542  1
  S  S3  4  0.0000  0.0000  0.0000  1
]