data_[Cs4La2Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0125]
_cell_length_b [7.1380]
_cell_length_c [12.1537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2LaTlF6]
_chemical_formula_sum '[Cs4 La2 Tl2 F12]'
_cell_volume [498.0735]
_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  0.2610  0.5378  0.7511  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.1391  0.5368  0.2261  1.0
  F  F4  4  0.2354  0.2351  0.0519  1.0
  F  F5  4  0.3085  0.6873  0.0407  1.0
]