data_[Ba8Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.1713]
_cell_length_b [10.1906]
_cell_length_c [9.3534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2AgBr5]
_chemical_formula_sum '[Ba8 Ag4 Br20]'
_cell_volume [1210.3669]
_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
[
  Ba  Ba0  4  0.0343  0.1253  0.7568  1
  Ba  Ba1  4  0.3840  0.1358  0.5502  1
  Ag  Ag2  4  0.3186  0.6281  0.6041  1
  Br  Br3  4  0.0947  0.6415  0.4800  1
  Br  Br4  4  0.1144  0.1007  0.4381  1
  Br  Br5  4  0.2863  0.1132  0.8355  1
  Br  Br6  4  0.3535  0.6838  0.9225  1
  Br  Br7  4  0.4431  0.0763  0.2291  1
]