data_[Na2In2Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1991]
_cell_length_b [8.3123]
_cell_length_c [8.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaInSnBr4]
_chemical_formula_sum '[Na2 In2 Sn2 Br8]'
_cell_volume [570.9103]
_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  0.2998  0.7500  0.3310  1.0
  In  In1  2  0.1688  0.2500  0.0266  1.0
  Sn  Sn2  2  0.1752  0.2500  0.5208  1.0
  Br  Br3  4  0.0340  0.5103  0.2783  1.0
  Br  Br4  2  0.4326  0.2500  0.8222  1.0
  Br  Br5  2  0.4453  0.2500  0.3747  1.0
]