data_[Ca2Cd22Au2]
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 [5.8873]
_cell_length_b [14.2846]
_cell_length_c [7.6415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCd11Au]
_chemical_formula_sum '[Ca2 Cd22 Au2]'
_cell_volume [595.5536]
_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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1132  0.6056  0.2144  1
  Cd  Cd2  8  0.1707  0.1739  0.3549  1
  Cd  Cd3  4  0.2500  0.2500  0.0000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]