data_[In6Ag2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1759]
_cell_length_b [10.0799]
_cell_length_c [6.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In3AgBr4]
_chemical_formula_sum '[In6 Ag2 Br8]'
_cell_volume [607.8796]
_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  4  0.1934  0.3532  0.9340  1.0
  In  In1  2  0.0000  0.0862  0.4335  1.0
  Ag  Ag2  2  0.0000  0.7900  0.9861  1.0
  Br  Br3  4  0.2358  0.3317  0.4238  1.0
  Br  Br4  2  0.0000  0.0567  0.9273  1.0
  Br  Br5  2  0.0000  0.7545  0.4221  1.0
]