data_[Sc1Pd6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8324]
_cell_length_b [5.1891]
_cell_length_c [6.6235]
_cell_angle_alpha [71.6445]
_cell_angle_beta [72.1432]
_cell_angle_gamma [85.1086]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc(Pd3Pt)2]
_chemical_formula_sum '[Sc1 Pd6 Pt2]'
_cell_volume [150.0334]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pd  Pd1  2  0.0407  0.5439  0.2778  1
  Pd  Pd2  2  0.3845  0.3069  0.9429  1
  Pd  Pd3  2  0.4755  0.2655  0.4830  1
  Pt  Pt4  2  0.1807  0.8817  0.8611  1
]