data_VSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSb3
_chemical_formula_sum   'V2 Sb6'
_cell_volume   196.63
_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
  V  V6  1  0.0  0.87  0.27  1.0
  V  V7  1  0.35  0.93  0.8  1.0
  Sb  Sb0  1  0.0  0.11  0.8  1.0
  Sb  Sb1  1  0.52  0.74  0.8  1.0
  Sb  Sb2  1  0.48  0.74  0.8  1.0
  Sb  Sb3  1  0.35  0.69  0.27  1.0
  Sb  Sb4  1  0.83  0.05  0.27  1.0
  Sb  Sb5  1  0.87  0.05  0.27  1.0

data_VSb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.06
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VSb3
_chemical_formula_sum   'V2 Sb6'
_cell_volume   196.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.23  0.83  0.47  1.0
  Sb  Sb1  2  0.23  0.17  0.29  1.0
  Sb  Sb2  2  0.23  0.65  0.66  1.0
  Sb  Sb3  2  0.23  0.69  0.66  1.0

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