data_[Sc8Si12Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4737]
_cell_length_b [14.6605]
_cell_length_c [7.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc2Si3Pt4]
_chemical_formula_sum '[Sc8 Si12 Pt16]'
_cell_volume [578.8388]
_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  0.0000  0.1019  0.6035  1.0
  Si  Si1  8  0.2500  0.2355  0.2500  1.0
  Si  Si2  4  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  8  0.0000  0.1793  0.9752  1.0
  Pt  Pt4  8  0.2500  0.0631  0.2500  1.0
]