data_[Mg6Ga8Au4]
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 [C2/m]
_cell_length_a [10.0152]
_cell_length_b [4.5354]
_cell_length_c [8.3328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3(Ga2Au)2]
_chemical_formula_sum '[Mg6 Ga8 Au4]'
_cell_volume [339.1049]
_cell_formula_units_Z [2]
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  4  0.1844  0.5000  0.6426  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0151  0.0000  0.3569  1.0
  Ga  Ga3  4  0.2323  0.5000  0.0654  1.0
  Au  Au4  4  0.0934  0.5000  0.2670  1.0
]