data_[Sc20Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7626]
_cell_length_b [6.3663]
_cell_length_c [6.1826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5Cu2]
_chemical_formula_sum '[Sc20 Cu8]'
_cell_volume [580.6571]
_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  0.0942  0.1351  0.9841  1.0
  Sc  Sc1  8  0.2237  0.4662  0.2738  1.0
  Sc  Sc2  4  0.0000  0.4865  0.2500  1.0
  Cu  Cu3  8  0.1116  0.2632  0.5221  1.0
]