data_[Mg4Ag16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1084]
_cell_length_b [4.2128]
_cell_length_c [6.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Ag8Au]
_chemical_formula_sum '[Mg4 Ag16 Au2]'
_cell_volume [400.0860]
_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
[
  Mg  Mg0  4  0.2232  0.0000  0.6509  1.0
  Ag  Ag1  4  0.0430  0.0000  0.7271  1.0
  Ag  Ag2  4  0.0931  0.5000  0.4524  1.0
  Ag  Ag3  4  0.1401  0.0000  0.1865  1.0
  Ag  Ag4  4  0.1794  0.5000  0.9074  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]