data_[Li2U4Tl4Se12]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1084]
_cell_length_b [12.4439]
_cell_length_c [8.0715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiU2(TlSe3)2]
_chemical_formula_sum '[Li2 U4 Tl4 Se12]'
_cell_volume [686.1016]
_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  0.0000  0.0000  0.5000  1
  U  U1  4  0.0000  0.3345  0.5000  1
  Tl  Tl2  4  0.0000  0.1606  0.0000  1
  Se  Se3  8  0.2375  0.1766  0.7014  1
  Se  Se4  4  0.2205  0.5000  0.6934  1
]