data_[Mg2Ga3Au1]
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 [Pmm2]
_cell_length_a [3.2370]
_cell_length_b [4.4996]
_cell_length_c [7.7352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg2Ga3Au]
_chemical_formula_sum '[Mg2 Ga3 Au1]'
_cell_volume [112.6639]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4848  1
  Mg  Mg1  1  0.0000  0.5000  0.0157  1
  Ga  Ga2  1  0.5000  0.0000  0.1597  1
  Ga  Ga3  1  0.5000  0.0000  0.8295  1
  Ga  Ga4  1  0.5000  0.5000  0.6737  1
  Au  Au5  1  0.5000  0.5000  0.3366  1
]