data_[Sc16Ga2Au4]
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 [Immm]
_cell_length_a [4.5952]
_cell_length_b [7.4214]
_cell_length_c [14.0284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc8GaAu2]
_chemical_formula_sum '[Sc16 Ga2 Au4]'
_cell_volume [478.4008]
_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
[
  Sc  Sc0  8  0.0000  0.2185  0.3402  1
  Sc  Sc1  4  0.0000  0.0000  0.1418  1
  Sc  Sc2  4  0.0000  0.3028  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Au  Au4  4  0.0000  0.5000  0.1978  1
]