data_[Y4Cd12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6947]
_cell_length_b [4.6021]
_cell_length_c [9.1217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCd3Au2]
_chemical_formula_sum '[Y4 Cd12 Au8]'
_cell_volume [531.7614]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.1348  0.0000  0.0214  1.0
  Cd  Cd1  4  0.0559  0.0000  0.3827  1.0
  Cd  Cd2  4  0.0980  0.5000  0.7339  1.0
  Cd  Cd3  4  0.2135  0.5000  0.5512  1.0
  Au  Au4  4  0.0610  0.5000  0.1793  1.0
  Au  Au5  4  0.2244  0.0000  0.7730  1.0
]