data_La2ZrAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   5.06
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrAl
_chemical_formula_sum   'La2 Zr1 Al1'
_cell_volume   114.96
_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  0.58  0.53  0.05  1.0
  La  La2  1  0.1  0.0  0.0  1.0
  Zr  Zr3  1  0.36  0.53  0.25  1.0
  Al  Al0  1  0.33  0.0  0.8  1.0

data_La2ZrAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.06
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrAl
_chemical_formula_sum   'La2 Zr1 Al1'
_cell_volume   114.96
_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  0.1  0.0  0.0  1.0
  La  La1  1  0.58  0.53  0.05  1.0
  Zr  Zr2  1  0.36  0.53  0.25  1.0
  Al  Al3  1  0.33  0.0  0.8  1.0

La La Zr Al