data_[Ba18Ag6Ir3Pd3]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2372]
_cell_length_b [8.2372]
_cell_length_c [22.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6Ag2IrPd]
_chemical_formula_sum '[Ba18 Ag6 Ir3 Pd3]'
_cell_volume [1310.0594]
_cell_formula_units_Z [3]
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  9  0.0050  0.3795  0.4188  1.0
  Ba  Ba1  9  0.0513  0.7039  0.2563  1.0
  Ag  Ag2  3  0.0000  0.0000  0.4820  1.0
  Ag  Ag3  3  0.0000  0.0000  0.9855  1.0
  Pd  Pd4  3  0.0000  0.0000  0.1734  1.0
  Ir  Ir5  3  0.0000  0.0000  0.6738  1.0
]