data_Hf3Mg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mg5
_chemical_formula_sum   'Hf3 Mg5'
_cell_volume   177.09
_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  0.57  0.0  0.01  1.0
  Hf  Hf1  1  0.63  0.0  0.01  1.0
  Hf  Hf2  1  0.1  0.0  0.65  1.0
  Mg  Mg3  1  0.0  0.0  0.68  1.0
  Mg  Mg4  1  0.1  0.7  0.86  1.0
  Mg  Mg5  1  0.1  0.3  0.86  1.0
  Mg  Mg6  1  0.55  0.68  0.56  1.0
  Mg  Mg7  1  0.55  0.32  0.56  1.0

data_Hf3Mg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   119.92
_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   177.09
_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  0.01  0.57  0.0  1.0
  Hf  Hf1  1  0.01  0.63  0.0  1.0
  Hf  Hf2  1  0.65  0.1  0.0  1.0
  Mg  Mg3  1  0.56  0.55  0.32  1.0
  Mg  Mg4  1  0.56  0.55  0.68  1.0
  Mg  Mg5  1  0.68  0.0  0.0  1.0
  Mg  Mg6  1  0.86  0.1  0.3  1.0
  Mg  Mg7  1  0.86  0.1  0.7  1.0

Hf Hf Hf Mg Mg Mg Mg Mg