data_[Mg18Ga3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2685]
_cell_length_b [10.2685]
_cell_length_c [11.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6GaAu12]
_chemical_formula_sum '[Mg18 Ga3 Au36]'
_cell_volume [1061.3714]
_cell_formula_units_Z [3]
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  18  0.0129  0.4170  0.7135  1.0
  Ga  Ga1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0361  0.1852  0.8280  1.0
  Au  Au3  18  0.0486  0.8468  0.4054  1.0
]