data_[Ca6Cd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [10.3460]
_cell_length_b [4.5880]
_cell_length_c [9.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(CdAu2)2]
_chemical_formula_sum '[Ca6 Cd4 Au8]'
_cell_volume [443.7551]
_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
[
  Ca  Ca0  4  0.1274  0.5000  0.3871  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1794  0.5000  0.7723  1.0
  Au  Au3  4  0.0795  0.0000  0.6258  1.0
  Au  Au4  4  0.2030  0.5000  0.0812  1.0
]