data_[Tl4In4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1076]
_cell_length_b [6.6432]
_cell_length_c [21.6160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2In2O]
_chemical_formula_sum '[Tl4 In4 O2]'
_cell_volume [733.4509]
_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  0.9045  0.2330  0.6143  1
  Tl  Tl1  1  0.4469  0.5000  0.5228  1
  Tl  Tl2  1  0.8655  0.0000  0.4368  1
  In  In3  2  0.3631  0.2495  0.3561  1
  In  In4  1  0.3718  0.0000  0.5294  1
  In  In5  1  0.3952  0.5000  0.6622  1
  O  O6  2  0.4508  0.2325  0.4540  1
]