data_Hf2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2V
_chemical_formula_sum   'Hf6 V3'
_cell_volume   179.05
_cell_formula_units_Z   3
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  0.86  0.97  0.61  1.0
  Hf  Hf1  1  0.5  0.33  0.0  1.0
  Hf  Hf2  1  0.28  0.0  0.61  1.0
  Hf  Hf3  1  0.87  0.97  0.61  1.0
  Hf  Hf4  1  1.0  0.0  0.0  1.0
  Hf  Hf5  1  0.51  0.62  0.0  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.0  0.63  0.61  1.0
  V  V8  1  0.01  0.32  0.61  1.0

data_Hf2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2V
_chemical_formula_sum   'Hf6 V3'
_cell_volume   179.05
_cell_formula_units_Z   3
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  1.0  0.0  1.0
  Hf  Hf1  1  0.0  0.51  0.62  1.0
  Hf  Hf2  1  0.0  0.5  0.33  1.0
  Hf  Hf3  1  0.61  0.28  0.0  1.0
  Hf  Hf4  1  0.61  0.86  0.97  1.0
  Hf  Hf5  1  0.61  0.87  0.97  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.61  -0.0  0.63  1.0
  V  V8  1  0.61  0.01  0.32  1.0

Hf Hf Hf Hf Hf Hf V V V 0 3 o o o 0 8 + + o 1 2 o o - 1 2 o o o 1 5 o o o 2 7 o - o 2 3 - - o 2 6 o o o 2 6 o o + 2 4 - o o 2 4 - o + 2 2 o o + 3 7 + o o 3 8 + + o 4 6 + o o 4 7 + - - 4 8 + o - 6 7 o - - 6 8 o o - 7 8 o o o 7 7 o o + 