data_[Na1In1Sn2Br6]
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 [P1]
_cell_length_a [7.6614]
_cell_length_b [7.9543]
_cell_length_c [8.1430]
_cell_angle_alpha [62.9793]
_cell_angle_beta [63.0989]
_cell_angle_gamma [62.0143]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaIn(SnBr3)2]
_chemical_formula_sum '[Na1 In1 Sn2 Br6]'
_cell_volume [371.8842]
_cell_formula_units_Z [1]
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  1  0.6788  0.6818  0.9493  1.0
  In  In1  1  0.2021  0.1919  0.4167  1.0
  Sn  Sn2  1  0.0091  0.9774  0.0199  1.0
  Sn  Sn3  1  0.5046  0.4904  0.5341  1.0
  Br  Br4  1  0.0780  0.7827  0.7676  1.0
  Br  Br5  1  0.2618  0.6311  0.2379  1.0
  Br  Br6  1  0.3822  0.0791  0.7744  1.0
  Br  Br7  1  0.6265  0.8301  0.2696  1.0
  Br  Br8  1  0.7734  0.3894  0.7469  1.0
  Br  Br9  1  0.8219  0.2844  0.2684  1.0
]