data_[Sc20Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7156]
_cell_length_b [15.1137]
_cell_length_c [7.6641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5Pt3]
_chemical_formula_sum '[Sc20 Pt12]'
_cell_volume [641.1711]
_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  8  0.1576  0.3134  0.7014  1
  Sc  Sc1  8  0.2109  0.1046  0.8685  1
  Sc  Sc2  4  0.2487  0.0000  0.4917  1
  Pt  Pt3  4  0.0000  0.1575  0.5000  1
  Pt  Pt4  4  0.0000  0.2501  0.0000  1
  Pt  Pt5  4  0.0968  0.5000  0.8192  1
]