data_[Tl4Bi2Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7796]
_cell_length_b [6.2747]
_cell_length_c [7.5677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Bi(SeO3)2]
_chemical_formula_sum '[Tl4 Bi2 Se4 O12]'
_cell_volume [429.7759]
_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
[
  Tl  Tl0  4  0.2236  0.5000  0.1401  1
  Bi  Bi1  2  0.0000  0.5000  0.5000  1
  Se  Se2  4  0.1078  0.0000  0.2756  1
  O  O3  8  0.0077  0.2162  0.7265  1
  O  O4  4  0.2436  0.0000  0.5026  1
]