data_[Ba8Ag12Bi20]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6366]
_cell_length_b [15.4516]
_cell_length_c [7.3143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2Ag3Bi5]
_chemical_formula_sum '[Ba8 Ag12 Bi20]'
_cell_volume [1315.1367]
_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  8  0.2300  0.1267  0.0000  1.0
  Ag  Ag1  8  0.1367  0.3864  0.0000  1.0
  Ag  Ag2  4  0.0000  0.0000  0.2500  1.0
  Bi  Bi3  8  0.0000  0.2722  0.2500  1.0
  Bi  Bi4  8  0.1200  0.1179  0.5000  1.0
  Bi  Bi5  4  0.0000  0.5000  0.2500  1.0
]