data_[Sc8Zn4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0269]
_cell_length_b [5.0654]
_cell_length_c [7.4582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2ZnNi2]
_chemical_formula_sum '[Sc8 Zn4 Ni8]'
_cell_volume [327.0326]
_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  0.1479  0.3437  0.1476  1.0
  Zn  Zn1  4  0.0000  0.1747  0.7500  1.0
  Ni  Ni2  8  0.1362  0.1406  0.5036  1.0
]