data_HfMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   13.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg
_chemical_formula_sum   'Hf3 Mg3'
_cell_volume   133.7
_cell_formula_units_Z   3
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  0.1  1.0
  Hf  Hf1  1  0.16  0.0  0.22  1.0
  Hf  Hf2  1  0.16  0.0  0.01  1.0
  Mg  Mg3  1  0.0  0.0  0.7  1.0
  Mg  Mg4  1  0.0  0.0  0.3  1.0
  Mg  Mg5  1  0.16  0.0  0.65  1.0

data_HfMg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   13.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfMg
_chemical_formula_sum   'Hf3 Mg3'
_cell_volume   133.75
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.1  1.0
  Hf  Hf1  1  0.16  0.0  0.01  1.0
  Hf  Hf2  1  0.16  0.0  0.22  1.0
  Mg  Mg3  1  0.0  0.0  0.3  1.0
  Mg  Mg4  1  0.0  0.0  0.7  1.0
  Mg  Mg5  1  0.16  0.0  0.65  1.0

Hf Hf Hf Mg Mg Mg