data_[Sc16Ga24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5849]
_cell_length_b [8.7652]
_cell_length_c [15.3269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sc2Ga3Au]
_chemical_formula_sum '[Sc16 Ga24 Au8]'
_cell_volume [884.6432]
_cell_formula_units_Z [8]
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
[
  Sc  Sc0  8  0.2476  0.0000  0.5000  1.0
  Sc  Sc1  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  16  0.0000  0.2495  0.0822  1.0
  Ga  Ga3  8  0.0000  0.0000  0.1635  1.0
  Au  Au4  8  0.0000  0.0000  0.3310  1.0
]