data_[Cs6Tl2Bi4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.5842]
_cell_length_b [13.1275]
_cell_length_c [8.7605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tl(BiSe3)2]
_chemical_formula_sum '[Cs6 Tl2 Bi4 Se12]'
_cell_volume [835.0047]
_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
[
  Cs  Cs0  4  0.0000  0.1692  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3337  0.0000  1.0
  Se  Se4  8  0.2270  0.1639  0.1893  1.0
  Se  Se5  4  0.2354  0.5000  0.1910  1.0
]