data_HfNb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.57
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Mo
_chemical_formula_sum   'Hf1 Nb2 Mo1'
_cell_volume   72.73
_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  0.28  0.4  1.0
  Nb  Nb2  1  0.66  0.28  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.66  0.0  0.4  1.0

data_HfNb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.57
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Mo
_chemical_formula_sum   'Hf1 Nb2 Mo1'
_cell_volume   72.73
_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  0.28  0.4  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.66  0.28  0.0  1.0
  Mo  Mo3  1  0.66  0.0  0.4  1.0

Hf Nb Nb Mo
Hf Nb Nb Mo 0 3 - o o 1 2 + o o 