data_[La4Y8Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3820]
_cell_length_b [6.9963]
_cell_length_c [12.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaY2Al]
_chemical_formula_sum '[La4 Y8 Al4]'
_cell_volume [457.4981]
_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
[
  La  La0  4  0.5000  0.2242  0.5856  1.0
  Y  Y1  4  0.0000  0.2360  0.4123  1.0
  Y  Y2  2  0.0000  0.0000  0.1744  1.0
  Y  Y3  2  0.5000  0.0000  0.8242  1.0
  Al  Al4  2  0.0000  0.0000  0.6758  1.0
  Al  Al5  2  0.5000  0.0000  0.3297  1.0
]