data_[Na1Tl1In2Br4]
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 [P2/m]
_cell_length_a [8.0643]
_cell_length_b [4.6257]
_cell_length_c [8.0735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTl(InBr2)2]
_chemical_formula_sum '[Na1 Tl1 In2 Br4]'
_cell_volume [284.3703]
_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
[
  Na  Na0  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  In  In3  1  0.5000  0.5000  0.0000  1.0
  Br  Br4  2  0.2644  0.0000  0.7398  1.0
  Br  Br5  2  0.2691  0.5000  0.2673  1.0
]