data_HfZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.55
_cell_angle_alpha   111.43
_cell_angle_beta   111.43
_cell_angle_gamma   39.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Fe
_chemical_formula_sum   'Hf1 Zn2 Fe1'
_cell_volume   60.51
_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  Hf1  1  0.86  0.0  0.98  1.0
  Zn  Zn2  1  0.03  0.0  0.16  1.0
  Zn  Zn3  1  0.37  0.0  0.93  1.0
  Fe  Fe0  1  0.46  0.0  0.23  1.0

data_HfZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.55
_cell_length_c   4.74
_cell_angle_alpha   111.43
_cell_angle_beta   109.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Fe
_chemical_formula_sum   'Hf1 Zn2 Fe1'
_cell_volume   60.51
_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  0.98  0.86  1.0
  Zn  Zn1  1  0.0  0.16  0.03  1.0
  Zn  Zn2  1  0.0  0.93  0.37  1.0
  Fe  Fe3  1  0.0  0.23  0.46  1.0

Hf Zn Zn Fe