data_[Ag1Pt1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4453]
_cell_length_b [6.7781]
_cell_length_c [6.7939]
_cell_angle_alpha [65.2299]
_cell_angle_beta [88.9465]
_cell_angle_gamma [62.7168]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgPtBr6]
_chemical_formula_sum '[Ag1 Pt1 Br6]'
_cell_volume [233.9059]
_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
[
  Ag  Ag0  1  0.5000  0.0000  0.5000  1.0
  Pt  Pt1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0243  0.5853  0.2189  1.0
  Br  Br3  2  0.2391  0.8254  0.7580  1.0
  Br  Br4  2  0.3935  0.8268  0.2452  1.0
]