data_[Na2In4Br16]
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 [C2/m]
_cell_length_a [15.0175]
_cell_length_b [8.9314]
_cell_length_c [6.8942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(InBr4)2]
_chemical_formula_sum '[Na2 In4 Br16]'
_cell_volume [899.3319]
_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
  In  In1  4  0.1760  0.0000  0.6493  1.0
  Br  Br2  8  0.0810  0.2212  0.7340  1.0
  Br  Br3  4  0.1633  0.5000  0.1348  1.0
  Br  Br4  4  0.1833  0.0000  0.2856  1.0
]