data_[Al4Zn2Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8732]
_cell_length_b [4.0315]
_cell_length_c [6.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2ZnPt8]
_chemical_formula_sum '[Al4 Zn2 Pt16]'
_cell_volume [335.9754]
_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
[
  Al  Al0  4  0.2213  0.0000  0.6544  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  4  0.0446  0.0000  0.7289  1.0
  Pt  Pt3  4  0.1002  0.5000  0.4685  1.0
  Pt  Pt4  4  0.1518  0.0000  0.2209  1.0
  Pt  Pt5  4  0.1766  0.5000  0.9342  1.0
]