data_[U6Pb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.8750]
_cell_length_b [8.3180]
_cell_length_c [7.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U3(PbSe4)2]
_chemical_formula_sum '[U6 Pb4 Se16]'
_cell_volume [843.8554]
_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
[
  U  U0  4  0.0000  0.2565  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.2454  0.5000  0.6691  1
  Se  Se3  8  0.1129  0.2371  0.3998  1
  Se  Se4  4  0.1087  0.0000  0.9043  1
  Se  Se5  4  0.1126  0.5000  0.9333  1
]