data_LaHf2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Al
_chemical_formula_sum   'La1 Hf2 Al1'
_cell_volume   91.16
_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  La3  1  0.55  0.0  0.0  1.0
  Hf  Hf1  1  0.78  0.92  0.67  1.0
  Hf  Hf2  1  0.78  0.08  0.67  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_LaHf2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   94.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Al
_chemical_formula_sum   'La1 Hf2 Al1'
_cell_volume   91.16
_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  0.55  0.0  1.0
  Hf  Hf1  1  0.67  0.78  0.92  1.0
  Hf  Hf2  1  0.67  0.78  0.08  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

La Hf Hf Al