data_[Y6Al16Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [15.6960]
_cell_length_b [4.3788]
_cell_length_c [9.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Al8Pt3]
_chemical_formula_sum '[Y6 Al16 Pt6]'
_cell_volume [517.2997]
_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
[
  Y  Y0  4  0.2130  0.5000  0.7071  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0046  0.5000  0.6726  1
  Al  Al3  4  0.1353  0.0000  0.4258  1
  Al  Al4  4  0.1514  0.0000  0.8675  1
  Al  Al5  4  0.1520  0.5000  0.2829  1
  Pt  Pt6  4  0.1470  0.5000  0.0047  1
  Pt  Pt7  2  0.0000  0.0000  0.5000  1
]