data_[Tl2In1I1O8]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0007]
_cell_length_b [6.7231]
_cell_length_c [5.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2InIO8]
_chemical_formula_sum '[Tl2 In1 I1 O8]'
_cell_volume [170.0560]
_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  2  0.5000  0.2507  0.5000  1.0
  In  In1  1  0.0000  0.5000  0.0000  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1928  0.2117  0.8437  1.0
  O  O4  2  0.2563  0.0000  0.3052  1.0
  O  O5  2  0.2816  0.5000  0.3139  1.0
]