data_[Mg2Al4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0358]
_cell_length_b [3.2746]
_cell_length_c [4.8871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAl2Au]
_chemical_formula_sum '[Mg2 Al4 Au2]'
_cell_volume [142.5503]
_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  0.2542  0.5000  0.2579  1
  Al  Al1  2  0.2477  0.0000  0.7531  1
  Al  Al2  2  0.4960  0.5000  0.9833  1
  Au  Au3  2  0.0021  0.5000  0.5057  1
]