data_[Sc8Ag4Pd12]
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 [12.8619]
_cell_length_b [4.9450]
_cell_length_c [7.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2AgPd3]
_chemical_formula_sum '[Sc8 Ag4 Pd12]'
_cell_volume [431.8276]
_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  4  0.0197  0.5000  0.2121  1
  Sc  Sc1  4  0.1953  0.0000  0.5690  1
  Ag  Ag2  4  0.1286  0.0000  0.1270  1
  Pd  Pd3  4  0.0347  0.0000  0.7060  1
  Pd  Pd4  4  0.1293  0.5000  0.6002  1
  Pd  Pd5  4  0.2047  0.5000  0.0354  1
]