data_[Sr6Cd6Au16]
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 [Immm]
_cell_length_a [4.7743]
_cell_length_b [9.8092]
_cell_length_c [14.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Cd3Au8]
_chemical_formula_sum '[Sr6 Cd6 Au16]'
_cell_volume [674.2898]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.2097  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0000  0.1986  0.0000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  8  0.0000  0.2881  0.3657  1.0
  Au  Au5  8  0.0000  0.3590  0.1640  1.0
]