data_[Ba8Ag2Ir1Au1]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7136]
_cell_length_b [9.6366]
_cell_length_c [7.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8Ag2IrAu]
_chemical_formula_sum '[Ba8 Ag2 Ir1 Au1]'
_cell_volume [589.6537]
_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  0.2229  0.2343  0.1619  1.0
  Ba  Ba1  2  0.2437  0.0000  0.6904  1.0
  Ba  Ba2  2  0.2635  0.5000  0.6732  1.0
  Ag  Ag3  2  0.5000  0.2430  0.5000  1.0
  Ir  Ir4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  1  0.0000  0.5000  0.0000  1.0
]