data_[Ag6Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4068]
_cell_length_b [7.2680]
_cell_length_c [13.3553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3BiBr6]
_chemical_formula_sum '[Ag6 Bi2 Br12]'
_cell_volume [605.4597]
_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  0.2776  0.0242  0.7567  1.0
  Ag  Ag1  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0784  0.1642  0.4148  1.0
  Br  Br4  4  0.2784  0.6738  0.4362  1.0
  Br  Br5  4  0.3584  0.1101  0.2382  1.0
]