data_HfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   8.09
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2
_chemical_formula_sum   'Hf2 Mo4'
_cell_volume   104.44
_cell_formula_units_Z   2
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  0.0  1.0
  Hf  Hf1  1  0.4  0.05  0.31  1.0
  Mo  Mo2  1  0.54  0.71  0.0  1.0
  Mo  Mo3  1  0.85  0.75  0.31  1.0
  Mo  Mo4  1  0.94  0.34  0.31  1.0
  Mo  Mo5  1  0.25  0.39  0.0  1.0

data_HfMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.62
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2
_chemical_formula_sum   'Hf2 Mo4'
_cell_volume   104.44
_cell_formula_units_Z   2
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  0.0  1.0
  Hf  Hf1  1  0.6  0.69  0.95  1.0
  Mo  Mo2  1  0.06  0.69  0.66  1.0
  Mo  Mo3  1  0.15  0.69  0.25  1.0
  Mo  Mo4  1  0.46  0.0  0.29  1.0
  Mo  Mo5  1  0.75  0.0  0.61  1.0

Hf Hf Mo Mo Mo Mo