data_[Sr6Cd6Au45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.7762]
_cell_length_b [9.7762]
_cell_length_c [14.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Cd2Au15]
_chemical_formula_sum '[Sr6 Cd6 Au45]'
_cell_volume [1194.3296]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.3472  1.0
  Cd  Cd1  6  0.0000  0.0000  0.1016  1.0
  Au  Au2  18  0.0000  0.3063  0.0000  1.0
  Au  Au3  18  0.0051  0.5026  0.1528  1.0
  Au  Au4  9  0.0000  0.5000  0.5000  1.0
]