data_[Tl1Cr1In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  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 [5.0611]
_cell_length_b [5.1179]
_cell_length_c [7.5688]
_cell_angle_alpha [107.6819]
_cell_angle_beta [105.0132]
_cell_angle_gamma [91.0143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCrIn2F8]
_chemical_formula_sum '[Tl1 Cr1 In2 F8]'
_cell_volume [179.4176]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.4280  0.4232  0.7102  1.0
  F  F3  2  0.1873  0.7793  0.8190  1.0
  F  F4  2  0.2540  0.9122  0.2104  1.0
  F  F5  2  0.2645  0.3223  0.0421  1.0
  F  F6  2  0.2766  0.5896  0.4547  1.0
]