data_[Mn4Cd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [13.4529]
_cell_length_b [4.8812]
_cell_length_c [5.7412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCdAu3]
_chemical_formula_sum '[Mn4 Cd4 Au12]'
_cell_volume [376.9627]
_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
[
  Mn  Mn0  4  0.1765  0.0000  0.0085  1.0
  Cd  Cd1  4  0.1045  0.5000  0.2872  1.0
  Au  Au2  4  0.0037  0.0000  0.7504  1.0
  Au  Au3  4  0.1376  0.5000  0.7998  1.0
  Au  Au4  4  0.1891  0.0000  0.5102  1.0
]