data_[U3Tl3Pb6S18]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2250]
_cell_length_b [7.2250]
_cell_length_c [18.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [UTl(PbS3)2]
_chemical_formula_sum '[U3 Tl3 Pb6 S18]'
_cell_volume [842.1803]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6766  1
  Tl  Tl1  3  0.0000  0.0000  0.1920  1
  Pb  Pb2  3  0.0000  0.0000  0.4721  1
  Pb  Pb3  3  0.0000  0.0000  0.9847  1
  S  S4  9  0.0135  0.3935  0.4158  1
  S  S5  9  0.0626  0.6803  0.2552  1
]