data_[Na2In6Br12]
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 [P2_1/c]
_cell_length_a [7.4615]
_cell_length_b [8.1153]
_cell_length_c [13.0996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na(InBr2)3]
_chemical_formula_sum '[Na2 In6 Br12]'
_cell_volume [661.1205]
_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
  In  In1  4  0.2166  0.5886  0.2466  1
  In  In2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.1532  0.6763  0.9565  1
  Br  Br4  4  0.2763  0.2124  0.9490  1
  Br  Br5  4  0.3656  0.5258  0.7598  1
]