data_[Y8Al8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8137]
_cell_length_b [5.0984]
_cell_length_c [6.2330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YAl]
_chemical_formula_sum '[Y8 Al8]'
_cell_volume [375.4189]
_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
[
  Y  Y0  4  0.0505  0.2500  0.8284  1.0
  Y  Y1  4  0.1722  0.7500  0.5617  1.0
  Al  Al2  4  0.0927  0.2500  0.3207  1.0
  Al  Al3  4  0.1956  0.7500  0.0577  1.0
]