data_[Na2In6Br8]
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 [Pmmn]
_cell_length_a [6.4606]
_cell_length_b [9.3229]
_cell_length_c [10.3651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaIn3Br4]
_chemical_formula_sum '[Na2 In6 Br8]'
_cell_volume [624.3062]
_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  0.5000  0.2061  1.0
  In  In1  4  0.0000  0.3032  0.6469  1.0
  In  In2  2  0.0000  0.0000  0.0981  1.0
  Br  Br3  4  0.0000  0.2251  0.3355  1.0
  Br  Br4  2  0.0000  0.0000  0.7643  1.0
  Br  Br5  2  0.0000  0.5000  0.9280  1.0
]