data_La2YAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.53
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YAl
_chemical_formula_sum   'La2 Y1 Al1'
_cell_volume   124.58
_cell_formula_units_Z   1
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  La1  1  0.4  0.0  0.1  1.0
  La  La2  1  0.38  0.0  0.79  1.0
  Y  Y3  1  0.87  0.0  0.24  1.0
  Al  Al0  1  0.06  0.0  0.38  1.0

data_La2YAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.53
_cell_length_c   6.7
_cell_angle_alpha   113.94
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YAl
_chemical_formula_sum   'La2 Y1 Al1'
_cell_volume   124.58
_cell_formula_units_Z   1
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  1  0.0  0.1  0.4  1.0
  La  La1  1  0.0  0.79  0.38  1.0
  Y  Y2  1  0.0  0.24  0.87  1.0
  Al  Al3  1  0.0  0.38  0.06  1.0

La La Y Al
La La Y Al 0 1 o o - 2 3 + o o 