data_[Mg16Ga2Au4]
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 [15.9272]
_cell_length_b [4.5974]
_cell_length_c [6.6691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8GaAu2]
_chemical_formula_sum '[Mg16 Ga2 Au4]'
_cell_volume [448.7623]
_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  0.0231  0.0000  0.7696  1
  Mg  Mg1  4  0.1025  0.5000  0.4476  1
  Mg  Mg2  4  0.1696  0.5000  0.9405  1
  Mg  Mg3  4  0.1929  0.0000  0.2797  1
  Ga  Ga4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1776  0.0000  0.6784  1
]