data_[Ag12Br8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0175]
_cell_length_b [8.0492]
_cell_length_c [6.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag3Br2Cl]
_chemical_formula_sum '[Ag12 Br8 Cl4]'
_cell_volume [602.1613]
_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  8  0.1644  0.0464  0.9484  1
  Ag  Ag1  4  0.0000  0.4366  0.4188  1
  Br  Br2  8  0.1658  0.3549  0.7473  1
  Cl  Cl3  4  0.0000  0.1313  0.2578  1
]