data_[U2Tl4Bi4Se12]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3363]
_cell_length_b [12.7179]
_cell_length_c [8.1721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTl2(BiSe3)2]
_chemical_formula_sum '[U2 Tl4 Bi4 Se12]'
_cell_volume [725.3591]
_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  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.0000  0.1681  0.0000  1
  Bi  Bi2  4  0.0000  0.3314  0.5000  1
  Se  Se3  8  0.2309  0.8392  0.7080  1
  Se  Se4  4  0.2477  0.0000  0.2916  1
]