data_Hf3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3V
_chemical_formula_sum   'Hf3 V1'
_cell_volume   80.71
_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  0.16  0.0  0.15  1.0
  Hf  Hf1  1  0.0  0.16  0.15  1.0
  Hf  Hf2  1  0.0  0.0  0.31  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Hf3V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   125.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3V
_chemical_formula_sum   'Hf6 V2'
_cell_volume   161.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.43  0.42  0.01  1.0
  Hf  Hf1  2  0.19  0.5  0.69  1.0
  V  V2  2  0.0  0.0  0.0  1.0

Hf Hf Hf V
Hf Hf Hf V 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 