data_Hf3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   14.82
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3V
_chemical_formula_sum   'Hf18 V6'
_cell_volume   491.07
_cell_formula_units_Z   6
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  0.81  0.46  0.24  1.0
  Hf  Hf1  1  0.81  0.37  0.24  1.0
  Hf  Hf2  1  0.83  0.41  0.96  1.0
  Hf  Hf3  1  0.79  0.0  0.2  1.0
  Hf  Hf4  1  0.81  0.87  0.93  1.0
  Hf  Hf5  1  0.81  0.96  0.93  1.0
  Hf  Hf6  1  0.21  0.0  0.92  1.0
  Hf  Hf7  1  0.21  0.95  0.46  1.0
  Hf  Hf8  1  0.21  0.88  0.46  1.0
  Hf  Hf9  1  0.6  0.46  0.24  1.0
  Hf  Hf10  1  0.6  0.37  0.24  1.0
  Hf  Hf11  1  0.58  0.41  0.96  1.0
  Hf  Hf12  1  0.63  0.0  0.2  1.0
  Hf  Hf13  1  0.61  0.87  0.93  1.0
  Hf  Hf14  1  0.61  0.96  0.93  1.0
  Hf  Hf15  1  0.0  0.41  0.25  1.0
  Hf  Hf16  1  0.0  0.53  0.7  1.0
  Hf  Hf17  1  0.0  0.29  0.7  1.0
  V  V18  1  0.21  0.41  0.48  1.0
  V  V19  1  0.21  0.44  0.65  1.0
  V  V20  1  0.21  0.38  0.65  1.0
  V  V21  1  0.0  0.0  0.68  1.0
  V  V22  1  0.0  0.85  0.52  1.0
  V  V23  1  0.0  0.97  0.52  1.0

data_Hf3V
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   6.41
_cell_length_c   14.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3V
_chemical_formula_sum   'Hf18 V6'
_cell_volume   491.07
_cell_formula_units_Z   6
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  0.2  0.63  0.0  1.0
  Hf  Hf1  1  0.2  0.79  0.0  1.0
  Hf  Hf2  1  0.24  0.6  0.37  1.0
  Hf  Hf3  1  0.24  0.6  0.46  1.0
  Hf  Hf4  1  0.24  0.81  0.37  1.0
  Hf  Hf5  1  0.24  0.81  0.46  1.0
  Hf  Hf6  1  0.25  0.0  0.41  1.0
  Hf  Hf7  1  0.46  0.21  0.88  1.0
  Hf  Hf8  1  0.46  0.21  0.95  1.0
  Hf  Hf9  1  0.7  0.0  0.29  1.0
  Hf  Hf10  1  0.7  0.0  0.53  1.0
  Hf  Hf11  1  0.92  0.21  0.0  1.0
  Hf  Hf12  1  0.93  0.61  0.87  1.0
  Hf  Hf13  1  0.93  0.61  0.96  1.0
  Hf  Hf14  1  0.93  0.81  0.87  1.0
  Hf  Hf15  1  0.93  0.81  0.96  1.0
  Hf  Hf16  1  0.96  0.58  0.41  1.0
  Hf  Hf17  1  0.96  0.83  0.41  1.0
  V  V18  1  0.48  0.21  0.41  1.0
  V  V19  1  0.52  0.0  0.85  1.0
  V  V20  1  0.52  0.0  0.97  1.0
  V  V21  1  0.65  0.21  0.38  1.0
  V  V22  1  0.65  0.21  0.44  1.0
  V  V23  1  0.68  0.0  0.0  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf V V V V V V
Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf V V V V V V 0 9 o o o 0 2 o o - 0 15 + o o 0 1 o o o 1 10 o o o 1 2 o o - 1 15 + o o 2 11 o o o 2 15 + o + 3 12 o o o 4 13 o o o 4 5 o o o 5 14 o o o 6 21 o o o 7 8 o o o 8 22 o o o 9 11 o o - 9 10 o o o 10 11 o o - 13 14 o o o 16 19 o o o 17 20 o o o 18 20 o o o 18 19 o o o 19 20 o o o 21 23 o - o 