data_[Ba4Ag4Pb4Br20]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4011]
_cell_length_b [13.1249]
_cell_length_c [10.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaAgPbBr5]
_chemical_formula_sum '[Ba4 Ag4 Pb4 Br20]'
_cell_volume [1201.1199]
_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  0.0000  0.3723  0.2500  1.0
  Ag  Ag1  4  0.0000  0.3243  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1494  0.1947  0.6360  1.0
  Br  Br4  8  0.1672  0.4400  0.9638  1.0
  Br  Br5  4  0.0000  0.1190  0.2500  1.0
]