data_HfTa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Fe
_chemical_formula_sum   'Hf1 Ta2 Fe1'
_cell_volume   69.87
_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  0.64  0.0  0.0  1.0
  Ta  Ta2  1  0.32  0.71  0.45  1.0
  Ta  Ta3  1  0.32  0.29  0.45  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_HfTa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   119.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Fe
_chemical_formula_sum   'Hf1 Ta2 Fe1'
_cell_volume   69.87
_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  0.64  1.0
  Ta  Ta1  1  0.45  0.29  0.61  1.0
  Ta  Ta2  1  0.45  0.71  0.03  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Hf Ta Ta Fe