data_HfFe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   145.51
_cell_angle_beta   129.93
_cell_angle_gamma   62.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Mo
_chemical_formula_sum   'Hf1 Fe2 Mo1'
_cell_volume   59.22
_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  Hf2  1  0.53  0.0  0.41  1.0
  Fe  Fe0  1  0.53  0.0  0.02  1.0
  Fe  Fe1  1  0.0  0.0  0.06  1.0
  Mo  Mo3  1  0.0  0.0  0.78  1.0

data_HfFe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.37
_cell_length_c   5.17
_cell_angle_alpha   115.04
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Mo
_chemical_formula_sum   'Hf1 Fe2 Mo1'
_cell_volume   59.22
_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  0.12  0.59  0.12  1.0
  Fe  Fe1  1  0.51  0.98  0.51  1.0
  Fe  Fe2  1  0.94  0.94  0.94  1.0
  Mo  Mo3  1  0.22  0.22  0.22  1.0

Hf Fe Fe Mo