data_[Al24Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [10.3932]
_cell_length_b [10.3932]
_cell_length_c [4.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Al3Pt]
_chemical_formula_sum '[Al24 Pt8]'
_cell_volume [523.7233]
_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
[
  Al  Al0  8  0.0252  0.8666  0.7231  1
  Al  Al1  8  0.0793  0.3965  0.4759  1
  Al  Al2  8  0.1840  0.2673  0.0034  1
  Pt  Pt3  8  0.0412  0.7839  0.2275  1
]