data_[In4Ag4Br16]
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 [C2/c]
_cell_length_a [8.1117]
_cell_length_b [16.8715]
_cell_length_c [7.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InAgBr4]
_chemical_formula_sum '[In4 Ag4 Br16]'
_cell_volume [807.8921]
_cell_formula_units_Z [4]
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  0.0000  0.0713  0.7500  1.0
  Ag  Ag1  4  0.0000  0.4200  0.2500  1.0
  Br  Br2  8  0.2302  0.0487  0.2261  1.0
  Br  Br3  8  0.2396  0.1762  0.7579  1.0
]