data_[Tl2Sb2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9616]
_cell_length_b [6.5301]
_cell_length_c [7.4401]
_cell_angle_alpha [90.1718]
_cell_angle_beta [108.4617]
_cell_angle_gamma [91.6748]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlSbF3]
_chemical_formula_sum '[Tl2 Sb2 F6]'
_cell_volume [228.5349]
_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  1  0.2926  0.8482  0.3442  1.0
  Tl  Tl1  1  0.6835  0.3444  0.1441  1.0
  Sb  Sb2  1  0.0174  0.0880  0.7428  1.0
  Sb  Sb3  1  0.9727  0.6161  0.7456  1.0
  F  F4  1  0.1501  0.1071  0.0469  1.0
  F  F5  1  0.2295  0.6142  0.0398  1.0
  F  F6  1  0.3477  0.5983  0.7021  1.0
  F  F7  1  0.6285  0.0912  0.7679  1.0
  F  F8  1  0.7902  0.0866  0.4434  1.0
  F  F9  1  0.8152  0.6138  0.4431  1.0
]