data_Hf4V5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   93.15
_cell_angle_beta   93.15
_cell_angle_gamma   152.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4V5
_chemical_formula_sum   'Hf4 V5'
_cell_volume   156.91
_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  0.0  0.02  0.0  1.0
  Hf  Hf1  1  0.0  0.71  0.0  1.0
  Hf  Hf2  1  0.02  0.0  0.0  1.0
  Hf  Hf3  1  0.71  0.0  0.0  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.18  0.18  0.0  1.0
  V  V6  1  0.32  0.68  0.66  1.0
  V  V7  1  0.68  0.32  0.66  1.0
  V  V8  1  0.68  0.68  0.66  1.0

data_Hf4V5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.32
_cell_length_b   13.76
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   103.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf4V5
_chemical_formula_sum   'Hf8 V10'
_cell_volume   313.83
_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  0.14  0.14  -0.0  1.0
  Hf  Hf1  4  0.49  0.49  -0.0  1.0
  V  V2  4  0.0  0.32  0.34  1.0
  V  V3  2  0.0  0.0  0.0  1.0
  V  V4  2  0.32  0.0  0.34  1.0
  V  V5  2  0.32  0.5  -0.0  1.0

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