data_[Y2U2Tl4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P2_1/c]
_cell_length_a [7.1491]
_cell_length_b [7.2463]
_cell_length_c [12.5061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YU(TlS3)2]
_chemical_formula_sum '[Y2 U2 Tl4 S12]'
_cell_volume [532.3341]
_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
[
  Y  Y0  2  0.5000  0.0000  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.2585  0.0454  0.2515  1
  S  S3  4  0.1556  0.0200  0.7421  1
  S  S4  4  0.2315  0.7072  0.5451  1
  S  S5  4  0.3357  0.1892  0.5406  1
]