data_LiHfAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.05
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfAl2
_chemical_formula_sum   'Li1 Hf1 Al2'
_cell_volume   71.27
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.96  0.0  0.03  1.0
  Al  Al0  1  0.42  0.02  0.44  1.0
  Al  Al1  1  0.42  0.02  0.61  1.0

data_LiHfAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.05
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfAl2
_chemical_formula_sum   'Li1 Hf1 Al2'
_cell_volume   71.27
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.96  0.0  0.03  1.0
  Al  Al2  1  0.42  0.02  0.44  1.0
  Al  Al3  1  0.42  0.02  0.61  1.0

Li Hf Al Al