data_[Ag6Sb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3304]
_cell_length_b [7.1916]
_cell_length_c [13.1868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3SbBr6]
_chemical_formula_sum '[Ag6 Sb2 Br12]'
_cell_volume [585.0026]
_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
[
  Ag  Ag0  4  0.2768  0.0263  0.7576  1.0
  Ag  Ag1  2  0.5000  0.0000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0773  0.1692  0.4157  1.0
  Br  Br4  4  0.2746  0.6730  0.4376  1.0
  Br  Br5  4  0.3549  0.1058  0.2365  1.0
]