data_[Sc2Sb6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3521]
_cell_length_b [4.3686]
_cell_length_c [9.8236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc(SbPd2)3]
_chemical_formula_sum '[Sc2 Sb6 Pd12]'
_cell_volume [385.7872]
_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  2  0.3815  0.2500  0.2805  1
  Sb  Sb1  2  0.0792  0.2500  0.9154  1
  Sb  Sb2  2  0.1944  0.2500  0.4808  1
  Sb  Sb3  2  0.3136  0.7500  0.8355  1
  Pd  Pd4  2  0.0784  0.2500  0.1951  1
  Pd  Pd5  2  0.1031  0.7500  0.5927  1
  Pd  Pd6  2  0.2483  0.7500  0.1076  1
  Pd  Pd7  2  0.3851  0.7500  0.4836  1
  Pd  Pd8  2  0.3985  0.2500  0.0051  1
  Pd  Pd9  2  0.4345  0.2500  0.7118  1
]