data_[Mg18Rh3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0521]
_cell_length_b [10.0521]
_cell_length_c [11.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6RhAu12]
_chemical_formula_sum '[Mg18 Rh3 Au36]'
_cell_volume [1043.4983]
_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  0.0260  0.4298  0.7120  1.0
  Rh  Rh1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0342  0.1841  0.8173  1.0
  Au  Au3  18  0.0545  0.8455  0.4091  1.0
]