data_[Mg2Ga2Au6]
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 [P2_1/m]
_cell_length_a [4.5802]
_cell_length_b [6.9222]
_cell_length_c [6.3851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgGaAu3]
_chemical_formula_sum '[Mg2 Ga2 Au6]'
_cell_volume [194.5007]
_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  2  0.3428  0.2500  0.2445  1.0
  Ga  Ga1  2  0.4185  0.7500  0.2240  1.0
  Au  Au2  4  0.1957  0.5199  0.8640  1.0
  Au  Au3  2  0.0616  0.7500  0.4763  1.0
]