data_[Sc12Si4Pt8]
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 [Pnma]
_cell_length_a [11.0524]
_cell_length_b [4.1969]
_cell_length_c [9.7881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc3SiPt2]
_chemical_formula_sum '[Sc12 Si4 Pt8]'
_cell_volume [454.0280]
_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  4  0.0465  0.2500  0.3840  1
  Sc  Sc1  4  0.1108  0.7500  0.9239  1
  Sc  Sc2  4  0.1993  0.2500  0.6896  1
  Si  Si3  4  0.1419  0.2500  0.1254  1
  Pt  Pt4  4  0.0323  0.7500  0.1992  1
  Pt  Pt5  4  0.1836  0.7500  0.4825  1
]