data_[V18Pd22Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.2125]
_cell_length_b [16.3149]
_cell_length_c [2.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [V9Pd11Au4]
_chemical_formula_sum '[V18 Pd22 Au8]'
_cell_volume [725.8646]
_cell_formula_units_Z [2]
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
[
  V  V0  8  0.1192  0.0821  0.5000  1
  V  V1  8  0.1215  0.2483  0.5000  1
  V  V2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.2342  0.1698  0.0000  1
  Pd  Pd4  4  0.0000  0.1692  0.0000  1
  Pd  Pd5  4  0.0000  0.3380  0.0000  1
  Pd  Pd6  4  0.2310  0.0000  0.0000  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Au  Au8  8  0.1361  0.4127  0.5000  1
]