data_HfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   6.98
_cell_length_c   2.89
_cell_angle_alpha   82.53
_cell_angle_beta   74.04
_cell_angle_gamma   23.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2
_chemical_formula_sum   'Hf1 Mo2'
_cell_volume   52.61
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.62  0.39  0.16  1.0
  Mo  Mo2  1  0.62  0.39  0.43  1.0

data_HfMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   6.98
_cell_angle_alpha   97.47
_cell_angle_beta   97.47
_cell_angle_gamma   111.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2
_chemical_formula_sum   'Hf1 Mo2'
_cell_volume   52.61
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.62  0.57  0.01  1.0
  Mo  Mo2  1  0.62  0.84  0.01  1.0

Hf Mo Mo