data_[In2Ag2Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.8241]
_cell_length_b [6.8241]
_cell_length_c [12.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [InAgSnBr6]
_chemical_formula_sum '[In2 Ag2 Sn2 Br12]'
_cell_volume [594.2905]
_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
[
  In  In0  2  0.0000  0.0000  0.3332  1.0
  Ag  Ag1  2  0.0000  0.0000  0.6674  1.0
  Sn  Sn2  2  0.0000  0.0000  0.9980  1.0
  Br  Br3  4  0.1882  0.8118  0.4944  1.0
  Br  Br4  4  0.1964  0.8036  0.1787  1.0
  Br  Br5  4  0.2132  0.7868  0.8276  1.0
]