data_Hf9NiMo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf9NiMo4
_chemical_formula_sum   'Hf18 Ni2 Mo8'
_cell_volume   552.32
_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  0.61  0.5  0.71  1.0
  Hf  Hf1  1  0.08  0.5  0.71  1.0
  Hf  Hf2  1  0.34  0.51  0.71  1.0
  Hf  Hf3  1  0.73  0.01  0.48  1.0
  Hf  Hf4  1  0.27  0.01  0.48  1.0
  Hf  Hf5  1  0.0  0.01  0.48  1.0
  Hf  Hf6  1  0.27  0.01  0.75  1.0
  Hf  Hf7  1  0.73  0.01  0.75  1.0
  Hf  Hf8  1  0.0  0.01  0.75  1.0
  Hf  Hf9  1  0.08  0.5  0.98  1.0
  Hf  Hf10  1  0.61  0.5  0.98  1.0
  Hf  Hf11  1  0.34  0.51  0.98  1.0
  Hf  Hf12  1  0.38  0.08  0.35  1.0
  Hf  Hf13  1  0.62  0.08  0.35  1.0
  Hf  Hf14  1  0.0  0.88  0.35  1.0
  Hf  Hf15  1  0.96  0.44  0.12  1.0
  Hf  Hf16  1  0.72  0.44  0.12  1.0
  Hf  Hf17  1  0.34  0.63  0.12  1.0
  Ni  Ni26  1  0.34  0.51  0.35  1.0
  Ni  Ni27  1  0.0  0.01  0.12  1.0
  Mo  Mo18  1  0.88  0.68  0.35  1.0
  Mo  Mo19  1  0.12  0.68  0.35  1.0
  Mo  Mo20  1  0.0  0.68  0.35  1.0
  Mo  Mo21  1  0.46  0.84  0.12  1.0
  Mo  Mo22  1  0.22  0.84  0.12  1.0
  Mo  Mo23  1  0.34  0.83  0.12  1.0
  Mo  Mo24  1  0.0  0.0  0.23  1.0
  Mo  Mo25  1  0.0  0.0  0.0  1.0

data_Hf9NiMo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.46
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf9NiMo4
_chemical_formula_sum   'Hf18 Ni2 Mo8'
_cell_volume   552.32
_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  0.12  0.34  0.63  1.0
  Hf  Hf1  1  0.12  0.72  0.44  1.0
  Hf  Hf2  1  0.12  0.96  0.44  1.0
  Hf  Hf3  1  0.35  -0.0  0.88  1.0
  Hf  Hf4  1  0.35  0.38  0.08  1.0
  Hf  Hf5  1  0.35  0.62  0.08  1.0
  Hf  Hf6  1  0.48  -0.0  0.01  1.0
  Hf  Hf7  1  0.48  0.27  0.01  1.0
  Hf  Hf8  1  0.48  0.73  0.01  1.0
  Hf  Hf9  1  0.71  0.08  0.5  1.0
  Hf  Hf10  1  0.71  0.34  0.51  1.0
  Hf  Hf11  1  0.71  0.61  0.5  1.0
  Hf  Hf12  1  0.75  -0.0  0.01  1.0
  Hf  Hf13  1  0.75  0.27  0.01  1.0
  Hf  Hf14  1  0.75  0.73  0.01  1.0
  Hf  Hf15  1  0.98  0.08  0.5  1.0
  Hf  Hf16  1  0.98  0.34  0.51  1.0
  Hf  Hf17  1  0.98  0.61  0.5  1.0
  Ni  Ni18  1  0.12  -0.0  0.01  1.0
  Ni  Ni19  1  0.35  0.34  0.51  1.0
  Mo  Mo20  1  0.0  0.0  0.0  1.0
  Mo  Mo21  1  0.12  0.22  0.84  1.0
  Mo  Mo22  1  0.12  0.34  0.83  1.0
  Mo  Mo23  1  0.12  0.46  0.84  1.0
  Mo  Mo24  1  0.23  0.0  0.0  1.0
  Mo  Mo25  1  0.35  -0.0  0.68  1.0
  Mo  Mo26  1  0.35  0.12  0.68  1.0
  Mo  Mo27  1  0.35  0.88  0.68  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Ni Ni Mo Mo Mo Mo Mo Mo Mo Mo