data_[Sc8Pt8]
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 [P2_12_12_1]
_cell_length_a [5.1726]
_cell_length_b [5.4111]
_cell_length_c [10.7183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ScPt]
_chemical_formula_sum '[Sc8 Pt8]'
_cell_volume [300.0025]
_cell_formula_units_Z [8]
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  0.1637  0.1405  0.8068  1.0
  Sc  Sc1  4  0.1676  0.5773  0.0238  1.0
  Pt  Pt2  4  0.1646  0.3694  0.2738  1.0
  Pt  Pt3  4  0.1892  0.0747  0.0576  1.0
]