data_[Mg6Sc3Ga6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4933]
_cell_length_b [4.4933]
_cell_length_c [23.0057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg2Sc(GaAu)2]
_chemical_formula_sum '[Mg6 Sc3 Ga6 Au6]'
_cell_volume [402.2504]
_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  6  0.0000  0.0000  0.1323  1.0
  Sc  Sc1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  6  0.0000  0.0000  0.3917  1.0
  Au  Au3  6  0.0000  0.0000  0.2559  1.0
]