data_Hf3Mg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   10.08
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mg5
_chemical_formula_sum   'Hf3 Mg5'
_cell_volume   178.41
_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  0.61  0.77  1.0
  Hf  Hf1  1  0.0  0.48  0.77  1.0
  Hf  Hf2  1  0.53  0.04  0.94  1.0
  Mg  Mg3  1  0.53  0.52  0.94  1.0
  Mg  Mg4  1  0.53  0.56  0.94  1.0
  Mg  Mg5  1  0.53  0.0  0.75  1.0
  Mg  Mg6  1  0.0  0.04  0.94  1.0
  Mg  Mg7  1  0.0  0.0  0.78  1.0

data_Hf3Mg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.78
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mg5
_chemical_formula_sum   'Hf3 Mg5'
_cell_volume   178.41
_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  0.23  0.39  1.0
  Hf  Hf1  1  0.0  0.23  0.52  1.0
  Hf  Hf2  1  0.47  0.06  0.96  1.0
  Mg  Mg3  1  0.0  0.06  0.96  1.0
  Mg  Mg4  1  0.0  0.22  0.0  1.0
  Mg  Mg5  1  0.47  0.06  0.44  1.0
  Mg  Mg6  1  0.47  0.06  0.48  1.0
  Mg  Mg7  1  0.47  0.25  0.0  1.0

Hf Hf Hf Mg Mg Mg Mg Mg
Hf Hf Hf Mg Mg Mg Mg Mg 0 1 o o o 2 5 o o o 3 4 o o o 6 7 o o o 