data_[Y8Al4]
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 [C2/m]
_cell_length_a [13.9740]
_cell_length_b [3.4657]
_cell_length_c [6.8890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Al]
_chemical_formula_sum '[Y8 Al4]'
_cell_volume [323.3359]
_cell_formula_units_Z [4]
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  0.1392  0.5000  0.5660  1.0
  Y  Y1  4  0.1539  0.5000  0.0832  1.0
  Al  Al2  4  0.0015  0.0000  0.7766  1.0
]