data_[Sc16Zn4Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9717]
_cell_length_b [4.8274]
_cell_length_c [6.3068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Zn2Co]
_chemical_formula_sum '[Sc16 Zn4 Co2]'
_cell_volume [456.6742]
_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  4  0.0220  0.0000  0.7862  1.0
  Sc  Sc1  4  0.0914  0.5000  0.4292  1.0
  Sc  Sc2  4  0.1562  0.5000  0.9582  1.0
  Sc  Sc3  4  0.1972  0.0000  0.2944  1.0
  Zn  Zn4  4  0.1808  0.0000  0.7052  1.0
  Co  Co5  2  0.0000  0.5000  0.0000  1.0
]