data_Hf3Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mo4
_chemical_formula_sum   'Hf3 Mo4'
_cell_volume   133.62
_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  0.83  0.0  0.41  1.0
  Hf  Hf1  1  0.58  0.45  0.41  1.0
  Hf  Hf2  1  0.42  0.45  0.41  1.0
  Mo  Mo3  1  0.0  0.0  0.57  1.0
  Mo  Mo4  1  0.0  0.0  0.24  1.0
  Mo  Mo5  1  0.0  0.27  0.0  1.0
  Mo  Mo6  1  0.83  0.63  0.0  1.0

data_Hf3Mo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Mo4
_chemical_formula_sum   'Hf3 Mo4'
_cell_volume   133.62
_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  0.41  0.42  0.45  1.0
  Hf  Hf1  1  0.41  0.58  0.45  1.0
  Hf  Hf2  1  0.41  0.83  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.27  1.0
  Mo  Mo4  1  0.0  0.83  0.63  1.0
  Mo  Mo5  1  0.24  0.0  0.0  1.0
  Mo  Mo6  1  0.57  0.0  0.0  1.0

Hf Hf Hf Mo Mo Mo Mo