data_[Na6Tl4In2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [5.8408]
_cell_length_b [10.1067]
_cell_length_c [5.9033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tl2InO6]
_chemical_formula_sum '[Na6 Tl4 In2 O12]'
_cell_volume [328.8040]
_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
[
  Na  Na0  4  0.0000  0.1672  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.3333  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2344  0.1608  0.2220  1.0
  O  O5  4  0.2478  0.0000  0.7801  1.0
]