data_[Ba4Al2Cd2Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0448]
_cell_length_b [6.1432]
_cell_length_c [8.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlCdAg6]
_chemical_formula_sum '[Ba4 Al2 Cd2 Ag12]'
_cell_volume [542.2992]
_cell_formula_units_Z [2]
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  0.2451  0.0000  0.6906  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  8  0.0293  0.2538  0.7941  1.0
  Ag  Ag4  4  0.2479  0.0000  0.1097  1.0
]