data_[Mg2Al4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6696]
_cell_length_b [4.1528]
_cell_length_c [6.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(AlAu4)2]
_chemical_formula_sum '[Mg2 Al4 Au16]'
_cell_volume [383.7954]
_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  0.0000  0.5000  0.0000  1.0
  Al  Al1  4  0.2152  0.0000  0.6610  1.0
  Au  Au2  4  0.0399  0.0000  0.7328  1.0
  Au  Au3  4  0.1067  0.5000  0.4649  1.0
  Au  Au4  4  0.1536  0.0000  0.2213  1.0
  Au  Au5  4  0.1764  0.5000  0.9285  1.0
]