data_Hf2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   15.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Mg
_chemical_formula_sum   'Hf4 Mg2'
_cell_volume   134.8
_cell_formula_units_Z   2
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  0.57  0.91  0.35  1.0
  Hf  Hf1  1  0.0  0.0  0.87  1.0
  Hf  Hf2  1  0.0  0.82  0.38  1.0
  Hf  Hf3  1  0.0  0.0  0.0  1.0
  Mg  Mg4  1  0.57  0.91  0.08  1.0
  Mg  Mg5  1  0.0  0.82  0.66  1.0

data_Hf2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   15.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Mg
_chemical_formula_sum   'Hf4 Mg2'
_cell_volume   134.8
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.87  1.0
  Hf  Hf2  1  0.0  0.82  0.38  1.0
  Hf  Hf3  1  0.57  0.91  0.35  1.0
  Mg  Mg4  1  0.0  0.82  0.66  1.0
  Mg  Mg5  1  0.57  0.91  0.08  1.0

Hf Hf Hf Hf Mg Mg