data_Hf2TaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.29
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaFe
_chemical_formula_sum   'Hf2 Ta1 Fe1'
_cell_volume   72.67
_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  0.35  0.15  0.29  1.0
  Hf  Hf2  1  0.19  0.0  0.45  1.0
  Ta  Ta3  1  0.48  0.15  0.82  1.0
  Fe  Fe0  1  0.34  0.0  1.0  1.0

data_Hf2TaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.29
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaFe
_chemical_formula_sum   'Hf2 Ta1 Fe1'
_cell_volume   72.67
_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  0.19  0.0  0.45  1.0
  Hf  Hf1  1  0.35  0.15  0.29  1.0
  Ta  Ta2  1  0.48  0.15  0.82  1.0
  Fe  Fe3  1  0.34  0.0  1.0  1.0

Hf Hf Ta Fe