data_[Sc8Zn32]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.7816]
_cell_length_b [8.7816]
_cell_length_c [8.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [ScZn4]
_chemical_formula_sum '[Sc8 Zn32]'
_cell_volume [677.1971]
_cell_formula_units_Z [8]
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  0.2134  0.2134  0.7866  1
  Zn  Zn1  12  0.0000  0.0000  0.3488  1
  Zn  Zn2  12  0.0000  0.2500  0.5000  1
  Zn  Zn3  8  0.1061  0.1061  0.1061  1
]