data_HfGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   120.98
_cell_angle_beta   119.93
_cell_angle_gamma   89.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaFe2
_chemical_formula_sum   'Hf1 Ga1 Fe2'
_cell_volume   54.24
_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  Hf3  1  0.0  0.0  0.03  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.1  0.0  0.51  1.0
  Fe  Fe1  1  0.0  0.13  0.52  1.0

data_HfGaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   60.07
_cell_angle_beta   60.49
_cell_angle_gamma   60.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaFe2
_chemical_formula_sum   'Hf1 Ga1 Fe2'
_cell_volume   54.24
_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  0.03  0.0  0.97  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.41  0.1  0.49  1.0
  Fe  Fe3  1  0.52  0.0  0.61  1.0

Hf Ga Fe Fe