data_[Sc8Zn8]
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 [Pmmn]
_cell_length_a [4.6290]
_cell_length_b [11.7238]
_cell_length_c [5.5667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ScZn]
_chemical_formula_sum '[Sc8 Zn8]'
_cell_volume [302.0991]
_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  4  0.0000  0.1634  0.6019  1
  Sc  Sc1  2  0.0000  0.0000  0.1139  1
  Sc  Sc2  2  0.0000  0.5000  0.2831  1
  Zn  Zn3  4  0.0000  0.2559  0.1283  1
  Zn  Zn4  4  0.0000  0.3887  0.7479  1
]