data_HfAl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   139.57
_cell_angle_beta   129.87
_cell_angle_gamma   66.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Mo
_chemical_formula_sum   'Hf1 Al2 Mo1'
_cell_volume   67.99
_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
  Hf  Hf2  1  0.0  0.0  0.33  1.0
  Al  Al0  1  0.79  0.0  0.09  1.0
  Al  Al1  1  0.0  0.19  0.25  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_HfAl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.39
_cell_length_c   5.18
_cell_angle_alpha   115.06
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Mo
_chemical_formula_sum   'Hf1 Al2 Mo1'
_cell_volume   67.99
_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
  Hf  Hf0  1  0.0  0.33  0.33  1.0
  Al  Al1  1  0.0  0.09  0.3  1.0
  Al  Al2  1  0.81  0.05  0.05  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Al Al Mo