data_[Sc4Zn2Pd16]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2161]
_cell_length_b [4.1317]
_cell_length_c [6.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2ZnPd8]
_chemical_formula_sum '[Sc4 Zn2 Pd16]'
_cell_volume [352.7461]
_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  0.2150  0.0000  0.6634  1
  Zn  Zn1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0372  0.0000  0.7335  1
  Pd  Pd3  4  0.0944  0.5000  0.4476  1
  Pd  Pd4  4  0.1487  0.0000  0.1962  1
  Pd  Pd5  4  0.1713  0.5000  0.9116  1
]