data_[Sc2W4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4810]
_cell_length_b [2.8121]
_cell_length_c [5.3110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScW2Au]
_chemical_formula_sum '[Sc2 W4 Au2]'
_cell_volume [140.8602]
_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  2  0.2593  0.5000  0.2663  1
  W  W1  2  0.2396  0.0000  0.7781  1
  W  W2  2  0.4954  0.5000  0.9740  1
  Au  Au3  2  0.0057  0.5000  0.4816  1
]