data_[U4Tl4Cd2Se12]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0665]
_cell_length_b [12.4397]
_cell_length_c [8.2221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2Tl2CdSe6]
_chemical_formula_sum '[U4 Tl4 Cd2 Se12]'
_cell_volume [694.5359]
_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  0.3339  0.5000  1
  Tl  Tl1  4  0.0000  0.1638  0.0000  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2385  0.1742  0.7054  1
  Se  Se4  4  0.2303  0.5000  0.6989  1
]