data_[Mg6Al6Au6]
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 [R3m]
_cell_length_a [4.4420]
_cell_length_b [4.4420]
_cell_length_c [19.9543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgAlAu]
_chemical_formula_sum '[Mg6 Al6 Au6]'
_cell_volume [340.9703]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.6531  1.0
  Mg  Mg1  3  0.0000  0.0000  0.8126  1.0
  Al  Al2  3  0.0000  0.0000  0.0700  1.0
  Al  Al3  3  0.0000  0.0000  0.2347  1.0
  Au  Au4  3  0.0000  0.0000  0.3724  1.0
  Au  Au5  3  0.0000  0.0000  0.5219  1.0
]