data_[Sc12Al6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3511]
_cell_length_b [4.8419]
_cell_length_c [10.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc6Al3Pd]
_chemical_formula_sum '[Sc12 Al6 Pd2]'
_cell_volume [403.6338]
_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  0.0960  0.7500  0.8657  1
  Sc  Sc1  2  0.1406  0.7500  0.1625  1
  Sc  Sc2  2  0.1575  0.2500  0.6957  1
  Sc  Sc3  2  0.2432  0.7500  0.4956  1
  Sc  Sc4  2  0.3324  0.2500  0.3330  1
  Sc  Sc5  2  0.4590  0.7500  0.0798  1
  Al  Al6  2  0.2288  0.2500  0.0263  1
  Al  Al7  2  0.3955  0.7500  0.7841  1
  Al  Al8  2  0.4732  0.2500  0.6269  1
  Pd  Pd9  2  0.0475  0.2500  0.4109  1
]