data_[Sc12Al2Pd10]
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 [Cmmm]
_cell_length_a [4.7118]
_cell_length_b [14.2780]
_cell_length_c [6.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc6AlPd5]
_chemical_formula_sum '[Sc12 Al2 Pd10]'
_cell_volume [442.5924]
_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  8  0.0000  0.1697  0.2496  1
  Sc  Sc1  4  0.0000  0.5000  0.2598  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.3304  0.5000  1
  Pd  Pd4  4  0.0000  0.3492  0.0000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]