data_[Na4In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.8399]
_cell_length_b [6.8399]
_cell_length_c [12.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Na2InBr6]
_chemical_formula_sum '[Na4 In2 Br12]'
_cell_volume [605.0982]
_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  0.0000  0.1681  1
  In  In1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.1913  0.8087  0.3479  1
  Br  Br3  4  0.2179  0.7821  0.0000  1
]