data_[Cr2Pd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1494]
_cell_length_b [4.1069]
_cell_length_c [8.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr(PdAu3)2]
_chemical_formula_sum '[Cr2 Pd4 Au12]'
_cell_volume [308.9110]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.1617  0.5000  0.7161  1.0
  Au  Au2  4  0.0019  0.0000  0.1740  1.0
  Au  Au3  4  0.1675  0.5000  0.0550  1.0
  Au  Au4  4  0.1682  0.5000  0.3917  1.0
]