data_[Tl2In4F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5875]
_cell_length_b [10.2448]
_cell_length_c [7.2461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TlIn2F3]
_chemical_formula_sum '[Tl2 In4 F6]'
_cell_volume [266.3188]
_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  2  0.0000  0.0369  0.3983  1.0
  In  In1  2  0.0000  0.3226  0.0636  1.0
  In  In2  2  0.5000  0.3668  0.6092  1.0
  F  F3  2  0.0000  0.3270  0.3873  1.0
  F  F4  2  0.5000  0.1497  0.6195  1.0
  F  F5  2  0.5000  0.1731  0.1234  1.0
]