data_[Mg8Ag4Au6]
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 [8.4852]
_cell_length_b [4.4473]
_cell_length_c [8.7059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4Ag2Au3]
_chemical_formula_sum '[Mg8 Ag4 Au6]'
_cell_volume [326.4168]
_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  0.0146  0.0000  0.3312  1
  Mg  Mg1  4  0.1605  0.5000  0.8930  1
  Ag  Ag2  4  0.1803  0.5000  0.2273  1
  Au  Au3  4  0.1606  0.5000  0.5701  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]