data_[Ba8Pd2Pt1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5664]
_cell_length_b [9.4957]
_cell_length_c [7.7409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8Pd2PtAu]
_chemical_formula_sum '[Ba8 Pd2 Pt1 Au1]'
_cell_volume [556.1598]
_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  0.2286  0.2410  0.1779  1.0
  Ba  Ba1  2  0.2697  0.0000  0.6805  1.0
  Ba  Ba2  2  0.2803  0.5000  0.6707  1.0
  Pd  Pd3  2  0.5000  0.2473  0.5000  1.0
  Pt  Pt4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  1  0.0000  0.5000  0.0000  1.0
]