data_[Sc20Zn4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2427]
_cell_length_b [8.3522]
_cell_length_c [8.9301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5ZnCu]
_chemical_formula_sum '[Sc20 Zn4 Cu4]'
_cell_volume [613.4735]
_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  0.1608  0.2234  0.1608  1
  Sc  Sc1  8  0.1783  0.4120  0.4999  1
  Sc  Sc2  4  0.0000  0.1452  0.7500  1
  Zn  Zn3  4  0.0000  0.4750  0.7500  1
  Cu  Cu4  4  0.0000  0.0000  0.0000  1
]