data_[Mg8Sc6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4464]
_cell_length_b [8.2047]
_cell_length_c [16.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg4Sc3Au4]
_chemical_formula_sum '[Mg8 Sc6 Au8]'
_cell_volume [454.0535]
_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  8  0.0000  0.1870  0.3346  1.0
  Sc  Sc1  4  0.0000  0.0000  0.1014  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  4  0.0000  0.2930  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2587  1.0
]