data_[Mg2Ga4Au2]
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 [4.1232]
_cell_length_b [7.6728]
_cell_length_c [5.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgGa2Au]
_chemical_formula_sum '[Mg2 Ga4 Au2]'
_cell_volume [149.7925]
_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  0.0837  0.7500  0.1549  1.0
  Ga  Ga1  4  0.3649  0.5461  0.7329  1.0
  Au  Au2  2  0.2096  0.2500  0.4235  1.0
]