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 [P-1]
_cell_length_a [6.0570]
_cell_length_b [6.3342]
_cell_length_c [8.4193]
_cell_angle_alpha [99.4060]
_cell_angle_beta [90.4037]
_cell_angle_gamma [115.2680]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlIn2F3]
_chemical_formula_sum '[Tl2 In4 F6]'
_cell_volume [287.1139]
_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  0.3287  0.6526  0.9168  1
  In  In1  2  0.0388  0.1112  0.3282  1
  In  In2  2  0.3843  0.7328  0.3712  1
  F  F3  2  0.1840  0.4070  0.1576  1
  F  F4  2  0.2365  0.9042  0.2019  1
  F  F5  2  0.3216  0.1870  0.8139  1
]