data_[Mg2Ag6Au12]
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 [P2_1/m]
_cell_length_a [9.3510]
_cell_length_b [4.0775]
_cell_length_c [9.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg(AgAu2)3]
_chemical_formula_sum '[Mg2 Ag6 Au12]'
_cell_volume [358.2929]
_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  2  0.3862  0.2500  0.0586  1
  Ag  Ag1  2  0.0053  0.7500  0.7488  1
  Ag  Ag2  2  0.2034  0.2500  0.6529  1
  Ag  Ag3  2  0.4010  0.7500  0.5519  1
  Au  Au4  2  0.0995  0.7500  0.4509  1
  Au  Au5  2  0.1008  0.2500  0.9497  1
  Au  Au6  2  0.1979  0.7500  0.1530  1
  Au  Au7  2  0.3008  0.2500  0.3530  1
  Au  Au8  2  0.3100  0.7500  0.8606  1
  Au  Au9  2  0.4981  0.7500  0.2387  1
]