data_[Ba8Cd1Ag2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7293]
_cell_length_b [9.9720]
_cell_length_c [7.9243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8CdAg2Ir]
_chemical_formula_sum '[Ba8 Cd1 Ag2 Ir1]'
_cell_volume [610.7646]
_cell_formula_units_Z [1]
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  0.2242  0.2217  0.1633  1.0
  Ba  Ba1  2  0.2462  0.0000  0.6909  1.0
  Ba  Ba2  2  0.2719  0.5000  0.6595  1.0
  Cd  Cd3  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag4  2  0.5000  0.2404  0.5000  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
]