data_[Li2U2Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7069]
_cell_length_b [4.1369]
_cell_length_c [9.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiUPbSe3]
_chemical_formula_sum '[Li2 U2 Pb2 Se6]'
_cell_volume [317.0170]
_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  0.0834  0.7500  0.5847  1
  U  U1  2  0.3313  0.2500  0.8406  1
  Pb  Pb2  2  0.1859  0.7500  0.2380  1
  Se  Se3  2  0.1067  0.7500  0.8708  1
  Se  Se4  2  0.2181  0.2500  0.5134  1
  Se  Se5  2  0.4377  0.2500  0.1689  1
]