data_[Na2Tl4In6Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1742]
_cell_length_b [14.0538]
_cell_length_c [8.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl2(InBr2)3]
_chemical_formula_sum '[Na2 Tl4 In6 Br12]'
_cell_volume [878.1711]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3326  0.0000  1.0
  In  In2  4  0.0000  0.1663  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  8  0.2308  0.1536  0.2342  1.0
  Br  Br5  4  0.2266  0.0000  0.7483  1.0
]