data_HfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.58
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo
_chemical_formula_sum   'Hf3 Mo3'
_cell_volume   112.89
_cell_formula_units_Z   3
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  0.12  1.0
  Hf  Hf1  1  0.52  0.29  0.79  1.0
  Hf  Hf2  1  0.52  0.29  0.96  1.0
  Mo  Mo3  1  0.0  0.0  0.27  1.0
  Mo  Mo4  1  0.0  0.0  0.73  1.0
  Mo  Mo5  1  0.52  0.29  0.41  1.0

data_HfMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.58
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo
_chemical_formula_sum   'Hf3 Mo3'
_cell_volume   112.89
_cell_formula_units_Z   3
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  0.12  1.0
  Hf  Hf1  1  0.52  0.29  0.79  1.0
  Hf  Hf2  1  0.52  0.29  0.96  1.0
  Mo  Mo3  1  0.0  0.0  0.27  1.0
  Mo  Mo4  1  0.0  0.0  0.73  1.0
  Mo  Mo5  1  0.52  0.29  0.41  1.0

Hf Hf Hf Mo Mo Mo