data_[Tl6In2F8]
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 [Pmn2_1]
_cell_length_a [10.0474]
_cell_length_b [6.2307]
_cell_length_c [5.9319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl3InF4]
_chemical_formula_sum '[Tl6 In2 F8]'
_cell_volume [371.3561]
_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  4  0.2497  0.2420  0.5788  1
  Tl  Tl1  2  0.0000  0.7348  0.5754  1
  In  In2  2  0.0000  0.2557  0.0774  1
  F  F3  4  0.2428  0.1599  0.1477  1
  F  F4  2  0.0000  0.1287  0.4401  1
  F  F5  2  0.0000  0.9068  0.9692  1
]