data_Hf5Mg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   10.83
_cell_angle_alpha   118.12
_cell_angle_beta   118.12
_cell_angle_gamma   29.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Mg3
_chemical_formula_sum   'Hf5 Mg3'
_cell_volume   177.37
_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  0.52  0.0  0.39  1.0
  Hf  Hf1  1  0.71  0.0  0.37  1.0
  Hf  Hf2  1  0.47  0.0  0.71  1.0
  Hf  Hf3  1  0.99  0.0  0.16  1.0
  Hf  Hf4  1  0.79  0.0  0.5  1.0
  Mg  Mg5  1  0.98  0.0  0.09  1.0
  Mg  Mg6  1  0.69  0.0  0.43  1.0
  Mg  Mg7  1  0.46  0.0  0.74  1.0

data_Hf5Mg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.16
_cell_length_c   9.61
_cell_angle_alpha   83.71
_cell_angle_beta   80.55
_cell_angle_gamma   75.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Mg3
_chemical_formula_sum   'Hf5 Mg3'
_cell_volume   177.37
_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  0.13  0.39  1.0
  Hf  Hf1  1  0.0  0.29  0.5  1.0
  Hf  Hf2  1  0.0  0.34  0.37  1.0
  Hf  Hf3  1  0.0  0.76  0.71  1.0
  Hf  Hf4  1  0.0  0.83  0.16  1.0
  Mg  Mg5  1  0.0  0.27  0.43  1.0
  Mg  Mg6  1  0.0  0.73  0.74  1.0
  Mg  Mg7  1  0.0  0.88  0.09  1.0

Hf Hf Hf Hf Hf Mg Mg Mg