data_[Sc20Co12]
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
]
_symmetry_space_group_name_H-M [P4/ncc]
_cell_length_a [9.9741]
_cell_length_b [9.9741]
_cell_length_c [5.7357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [130]
_chemical_formula_structural [Sc5Co3]
_chemical_formula_sum '[Sc20 Co12]'
_cell_volume [570.6091]
_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  16  0.0851  0.2899  0.1290  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Co  Co2  8  0.1556  0.8444  0.2500  1
  Co  Co3  4  0.0000  0.5000  0.3657  1
]