data_[Sc16Al4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9864]
_cell_length_b [4.9076]
_cell_length_c [6.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Al2Pt]
_chemical_formula_sum '[Sc16 Al4 Pt2]'
_cell_volume [479.3301]
_cell_formula_units_Z [2]
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  0.0093  0.0000  0.7604  1.0
  Sc  Sc1  4  0.1119  0.5000  0.4220  1.0
  Sc  Sc2  4  0.1511  0.5000  0.9132  1.0
  Sc  Sc3  4  0.1895  0.0000  0.2401  1.0
  Al  Al4  4  0.1821  0.0000  0.6796  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]