data_[Cs4Tl2Bi2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9536]
_cell_length_b [7.0439]
_cell_length_c [12.0702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlBiF6]
_chemical_formula_sum '[Cs4 Tl2 Bi2 F12]'
_cell_volume [483.2179]
_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  0.2574  0.5341  0.7502  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1500  0.5278  0.2252  1.0
  F  F4  4  0.2281  0.2372  0.0438  1.0
  F  F5  4  0.2997  0.6882  0.0359  1.0
]