data_[Li2U2Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  U  1.3800  1.7500  0.9913
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8261]
_cell_length_b [7.1866]
_cell_length_c [11.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiU(PbS3)2]
_chemical_formula_sum '[Li2 U2 Pb4 S12]'
_cell_volume [482.1545]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.3053  0.0747  0.2811  1
  S  S3  4  0.1361  0.0321  0.7494  1
  S  S4  4  0.2481  0.7073  0.5670  1
  S  S5  4  0.3508  0.1934  0.5421  1
]