data_HfMnAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.6
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   35.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnAl2
_chemical_formula_sum   'Hf1 Mn1 Al2'
_cell_volume   66.43
_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  0.03  0.0  0.99  1.0
  Mn  Mn3  1  0.79  0.0  0.17  1.0
  Al  Al0  1  0.51  0.0  0.19  1.0
  Al  Al1  1  0.23  0.0  0.39  1.0

data_HfMnAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.6
_cell_length_c   5.14
_cell_angle_alpha   109.9
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnAl2
_chemical_formula_sum   'Hf1 Mn1 Al2'
_cell_volume   66.43
_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  0.99  0.03  1.0
  Mn  Mn1  1  0.0  0.17  0.79  1.0
  Al  Al2  1  0.0  0.19  0.51  1.0
  Al  Al3  1  0.0  0.39  0.23  1.0

Hf Mn Al Al