data_[Sc4Si12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6259]
_cell_length_b [5.6414]
_cell_length_c [12.8776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScSi3Pd2]
_chemical_formula_sum '[Sc4 Si12 Pd8]'
_cell_volume [398.9584]
_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  0.1527  0.0000  0.2967  1.0
  Si  Si1  8  0.1732  0.2170  0.9079  1.0
  Si  Si2  4  0.1930  0.5000  0.3839  1.0
  Pd  Pd3  4  0.0000  0.2501  0.5000  1.0
  Pd  Pd4  4  0.0855  0.5000  0.1967  1.0
]