data_[Mg6Ir1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6827]
_cell_length_b [4.6827]
_cell_length_c [8.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mg6IrAu2]
_chemical_formula_sum '[Mg6 Ir1 Au2]'
_cell_volume [165.7837]
_cell_formula_units_Z [1]
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  0.0000  0.2015  1
  Mg  Mg1  2  0.3333  0.6667  0.4197  1
  Mg  Mg2  2  0.3333  0.6667  0.0642  1
  Ir  Ir3  1  0.0000  0.0000  0.5000  1
  Au  Au4  2  0.3333  0.6667  0.7475  1
]