data_[Ag6Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.4721]
_cell_length_b [4.4049]
_cell_length_c [11.8580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag3SnBr6]
_chemical_formula_sum '[Ag6 Sn2 Br12]'
_cell_volume [565.8209]
_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  2  0.0868  0.7500  0.1697  1.0
  Ag  Ag1  2  0.1645  0.2500  0.5758  1.0
  Ag  Ag2  2  0.4956  0.7500  0.6514  1.0
  Sn  Sn3  2  0.3014  0.2500  0.9683  1.0
  Br  Br4  2  0.0559  0.7500  0.3898  1.0
  Br  Br5  2  0.0926  0.7500  0.9309  1.0
  Br  Br6  2  0.2590  0.2500  0.2008  1.0
  Br  Br7  2  0.2827  0.7500  0.7306  1.0
  Br  Br8  2  0.3759  0.2500  0.5220  1.0
  Br  Br9  2  0.4541  0.7500  0.1020  1.0
]