data_HfAlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   59.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlMo
_chemical_formula_sum   'Hf4 Al4 Mo4'
_cell_volume   213.24
_cell_formula_units_Z   4
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  0.12  0.0  0.14  1.0
  Hf  Hf1  1  1.0  0.0  0.04  1.0
  Hf  Hf2  1  0.76  0.0  0.04  1.0
  Hf  Hf3  1  0.63  0.0  0.14  1.0
  Al  Al4  1  0.57  0.0  0.03  1.0
  Al  Al5  1  0.18  0.0  0.03  1.0
  Al  Al6  1  0.0  0.71  0.83  1.0
  Al  Al7  1  0.0  0.29  0.83  1.0
  Mo  Mo8  1  0.0  0.0  0.56  1.0
  Mo  Mo9  1  0.38  0.28  0.41  1.0
  Mo  Mo10  1  0.38  0.72  0.41  1.0
  Mo  Mo11  1  0.38  0.0  0.66  1.0

data_HfAlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.31
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlMo
_chemical_formula_sum   'Hf4 Al4 Mo4'
_cell_volume   213.24
_cell_formula_units_Z   4
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  0.04  0.04  0.24  1.0
  Hf  Hf1  1  0.04  0.04  0.0  1.0
  Hf  Hf2  1  0.14  0.14  0.37  1.0
  Hf  Hf3  1  0.14  0.14  0.88  1.0
  Al  Al4  1  0.03  0.03  0.43  1.0
  Al  Al5  1  0.03  0.03  0.82  1.0
  Al  Al6  1  0.83  0.12  0.0  1.0
  Al  Al7  1  0.83  0.54  -0.0  1.0
  Mo  Mo8  1  0.41  0.13  0.62  1.0
  Mo  Mo9  1  0.41  0.7  0.62  1.0
  Mo  Mo10  1  0.56  0.56  0.0  1.0
  Mo  Mo11  1  0.66  0.66  0.62  1.0

Hf Hf Hf Hf Al Al Al Al Mo Mo Mo Mo