data_HfMg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Zn
_chemical_formula_sum   'Hf1 Mg2 Zn1'
_cell_volume   80.72
_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  0.0  0.65  1.0
  Mg  Mg1  1  0.0  0.08  0.33  1.0
  Mg  Mg2  1  0.08  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_HfMg2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   122.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2Zn
_chemical_formula_sum   'Hf2 Mg4 Zn2'
_cell_volume   161.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.0  0.35  1.0
  Mg  Mg1  4  0.22  0.46  0.76  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0

Hf Mg Mg Zn