data_HfCo4Mo9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo4Mo9
_chemical_formula_sum   'Hf2 Co8 Mo18'
_cell_volume   419.34
_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  Hf8  1  0.87  0.23  0.07  1.0
  Hf  Hf9  1  0.0  0.47  0.02  1.0
  Co  Co0  1  0.64  0.99  0.07  1.0
  Co  Co1  1  0.36  0.99  0.07  1.0
  Co  Co2  1  0.0  0.41  0.07  1.0
  Co  Co3  1  0.22  0.71  0.02  1.0
  Co  Co4  1  0.51  0.71  0.02  1.0
  Co  Co5  1  0.87  0.28  0.02  1.0
  Co  Co6  1  0.0  0.0  0.05  1.0
  Co  Co7  1  0.0  0.0  0.0  1.0
  Mo  Mo10  1  0.27  0.31  0.21  1.0
  Mo  Mo11  1  0.47  0.31  0.21  1.0
  Mo  Mo12  1  0.87  0.08  0.21  1.0
  Mo  Mo13  1  0.6  0.39  0.16  1.0
  Mo  Mo14  1  0.4  0.39  0.16  1.0
  Mo  Mo15  1  0.0  0.62  0.16  1.0
  Mo  Mo16  1  0.4  0.39  0.89  1.0
  Mo  Mo17  1  0.6  0.39  0.89  1.0
  Mo  Mo18  1  0.0  0.62  0.89  1.0
  Mo  Mo19  1  0.47  0.31  0.93  1.0
  Mo  Mo20  1  0.27  0.31  0.93  1.0
  Mo  Mo21  1  0.87  0.08  0.93  1.0
  Mo  Mo22  1  0.62  0.67  0.07  1.0
  Mo  Mo23  1  0.38  0.67  0.07  1.0
  Mo  Mo24  1  0.0  0.06  0.07  1.0
  Mo  Mo25  1  0.24  0.03  0.02  1.0
  Mo  Mo26  1  0.49  0.03  0.02  1.0
  Mo  Mo27  1  0.87  0.64  0.02  1.0

data_HfCo4Mo9
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo4Mo9
_chemical_formula_sum   'Hf2 Co8 Mo18'
_cell_volume   419.34
_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  0.47  0.02  1.0
  Hf  Hf1  1  0.87  0.23  0.07  1.0
  Co  Co2  1  -0.0  0.41  0.07  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  Co  Co4  1  0.0  0.0  0.05  1.0
  Co  Co5  1  0.22  0.71  0.02  1.0
  Co  Co6  1  0.36  0.99  0.07  1.0
  Co  Co7  1  0.51  0.71  0.02  1.0
  Co  Co8  1  0.64  0.99  0.07  1.0
  Co  Co9  1  0.87  0.28  0.02  1.0
  Mo  Mo10  1  -0.0  0.62  0.16  1.0
  Mo  Mo11  1  -0.0  0.62  0.89  1.0
  Mo  Mo12  1  -0.0  0.06  0.07  1.0
  Mo  Mo13  1  0.24  0.03  0.02  1.0
  Mo  Mo14  1  0.27  0.31  0.21  1.0
  Mo  Mo15  1  0.27  0.31  0.93  1.0
  Mo  Mo16  1  0.38  0.67  0.07  1.0
  Mo  Mo17  1  0.4  0.39  0.16  1.0
  Mo  Mo18  1  0.4  0.39  0.89  1.0
  Mo  Mo19  1  0.47  0.31  0.21  1.0
  Mo  Mo20  1  0.47  0.31  0.93  1.0
  Mo  Mo21  1  0.49  0.03  0.02  1.0
  Mo  Mo22  1  0.6  0.39  0.16  1.0
  Mo  Mo23  1  0.6  0.39  0.89  1.0
  Mo  Mo24  1  0.62  0.67  0.07  1.0
  Mo  Mo25  1  0.87  0.64  0.02  1.0
  Mo  Mo26  1  0.87  0.08  0.21  1.0
  Mo  Mo27  1  0.87  0.08  0.93  1.0

Hf Hf Co Co Co Co Co Co Co Co Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo