data_[Sc20Co4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3765]
_cell_length_b [6.5909]
_cell_length_c [10.9327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5CoAu]
_chemical_formula_sum '[Sc20 Co4 Au4]'
_cell_volume [584.3746]
_cell_formula_units_Z [4]
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  0.1234  0.3347  0.0676  1
  Sc  Sc1  8  0.2484  0.1681  0.6243  1
  Sc  Sc2  4  0.0000  0.0028  0.7500  1
  Co  Co3  4  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.4191  0.7500  1
]