data_[Al8Sn8Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.9257]
_cell_length_b [8.6646]
_cell_length_c [9.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [AlSnPt2]
_chemical_formula_sum '[Al8 Sn8 Pt16]'
_cell_volume [544.8398]
_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  0.0000  0.0000  0.2399  1
  Sn  Sn1  8  0.0000  0.2210  0.5000  1
  Pt  Pt2  8  0.2095  0.0000  0.0000  1
  Pt  Pt3  8  0.2500  0.2500  0.2500  1
]