data_[Sc4Ag2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3697]
_cell_length_b [4.0990]
_cell_length_c [6.4243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2AgPd8]
_chemical_formula_sum '[Sc4 Ag2 Pd16]'
_cell_volume [361.7758]
_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  0.2186  0.0000  0.6643  1.0
  Ag  Ag1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0412  0.0000  0.7229  1.0
  Pd  Pd3  4  0.0962  0.5000  0.4552  1.0
  Pd  Pd4  4  0.1451  0.0000  0.1963  1.0
  Pd  Pd5  4  0.1772  0.5000  0.9081  1.0
]