data_[La4Y2Al2]
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 [P2_1/m]
_cell_length_a [6.7412]
_cell_length_b [5.1265]
_cell_length_c [7.1392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2YAl]
_chemical_formula_sum '[La4 Y2 Al2]'
_cell_volume [242.6298]
_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
[
  La  La0  2  0.0999  0.7500  0.7940  1
  La  La1  2  0.3620  0.2500  0.0929  1
  Y  Y2  2  0.3318  0.2500  0.5676  1
  Al  Al3  2  0.1744  0.7500  0.3135  1
]