data_[Ba8Ir1Pd1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6012]
_cell_length_b [9.5113]
_cell_length_c [7.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8IrPdAu2]
_chemical_formula_sum '[Ba8 Ir1 Pd1 Au2]'
_cell_volume [563.4691]
_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  0.2189  0.2409  0.8330  1.0
  Ba  Ba1  2  0.2544  0.0000  0.3104  1.0
  Ba  Ba2  2  0.2642  0.5000  0.3196  1.0
  Ir  Ir3  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  1  0.0000  0.5000  0.0000  1.0
  Au  Au5  2  0.5000  0.2477  0.5000  1.0
]