data_[Mg4Cd8Au8]
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 [11.0194]
_cell_length_b [4.6019]
_cell_length_c [8.7358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(CdAu)2]
_chemical_formula_sum '[Mg4 Cd8 Au8]'
_cell_volume [410.2059]
_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  0.2146  0.5000  0.3349  1.0
  Cd  Cd1  4  0.0253  0.0000  0.3403  1.0
  Cd  Cd2  4  0.1669  0.0000  0.0648  1.0
  Au  Au3  4  0.0488  0.5000  0.8757  1.0
  Au  Au4  4  0.1365  0.5000  0.6027  1.0
]