data_[Mg4Cd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [9.9026]
_cell_length_b [4.0720]
_cell_length_c [8.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCdAu2]
_chemical_formula_sum '[Mg4 Cd4 Au8]'
_cell_volume [299.0689]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.1280  0.5000  0.1881  1.0
  Cd  Cd1  4  0.1212  0.5000  0.6892  1.0
  Au  Au2  4  0.1214  0.0000  0.9423  1.0
  Au  Au3  4  0.1293  0.0000  0.4342  1.0
]