data_[Ag4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.8432]
_cell_length_b [11.8432]
_cell_length_c [18.5318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [AgBr3]
_chemical_formula_sum '[Ag4 Br12]'
_cell_volume [2251.0559]
_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
[
  Ag  Ag0  3  0.0000  0.7758  0.5142  1
  Ag  Ag1  1  0.0000  0.0000  0.4301  1
  Br  Br2  6  0.1971  0.7500  0.4705  1
  Br  Br3  3  0.0000  0.3255  0.4653  1
  Br  Br4  2  0.3333  0.6667  0.6207  1
  Br  Br5  1  0.0000  0.0000  0.5673  1
]