data_[In8Ag2Br10]
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 [I4]
_cell_length_a [10.2427]
_cell_length_b [10.2427]
_cell_length_c [6.5967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [In4AgBr5]
_chemical_formula_sum '[In8 Ag2 Br10]'
_cell_volume [692.0814]
_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  8  0.0949  0.3030  0.4989  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0521  1.0
  Br  Br2  8  0.1038  0.2604  0.9939  1.0
  Br  Br3  2  0.0000  0.0000  0.4871  1.0
]