data_[Sr3Cd18Au36]
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 [12.1318]
_cell_length_b [12.1318]
_cell_length_c [9.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr(CdAu2)6]
_chemical_formula_sum '[Sr3 Cd18 Au36]'
_cell_volume [1253.8760]
_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  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0680  0.5340  0.2409  1.0
  Au  Au2  18  0.0000  0.3876  0.5000  1.0
  Au  Au3  18  0.0827  0.1653  0.2714  1.0
]