data_HfMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   3.09
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   92.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg
_chemical_formula_sum   'Hf4 Mg4'
_cell_volume   177.44
_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  0.54  0.54  0.1  1.0
  Hf  Hf1  1  0.82  0.54  0.08  1.0
  Hf  Hf2  1  0.73  0.0  0.07  1.0
  Hf  Hf3  1  0.57  0.54  0.53  1.0
  Mg  Mg4  1  0.58  0.0  0.16  1.0
  Mg  Mg5  1  0.85  0.0  0.62  1.0
  Mg  Mg6  1  0.63  0.0  0.76  1.0
  Mg  Mg7  1  0.49  0.54  0.74  1.0

data_HfMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.55
_cell_length_c   10.36
_cell_angle_alpha   92.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg
_chemical_formula_sum   'Hf4 Mg4'
_cell_volume   177.44
_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  0.0  0.27  0.93  1.0
  Hf  Hf1  1  0.46  0.18  0.92  1.0
  Hf  Hf2  1  0.46  0.43  0.47  1.0
  Hf  Hf3  1  0.46  0.46  0.9  1.0
  Mg  Mg4  1  0.0  0.15  0.38  1.0
  Mg  Mg5  1  0.0  0.37  0.24  1.0
  Mg  Mg6  1  0.0  0.42  0.84  1.0
  Mg  Mg7  1  0.46  0.51  0.26  1.0

Hf Hf Hf Hf Mg Mg Mg Mg