data_VP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.85
_cell_angle_alpha   98.71
_cell_angle_beta   98.71
_cell_angle_gamma   128.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP4
_chemical_formula_sum   'V2 P8'
_cell_volume   158.57
_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  V8  1  0.09  0.18  0.11  1.0
  V  V9  1  0.12  0.82  0.37  1.0
  P  P0  1  0.15  0.99  0.77  1.0
  P  P1  1  0.09  0.99  0.97  1.0
  P  P2  1  0.06  0.01  0.71  1.0
  P  P3  1  0.13  0.01  0.51  1.0
  P  P4  1  0.16  0.45  0.44  1.0
  P  P5  1  0.03  0.45  0.78  1.0
  P  P6  1  0.05  0.55  0.04  1.0
  P  P7  1  0.19  0.55  0.7  1.0

data_VP4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.27
_cell_length_b   5.85
_cell_length_c   6.1
_cell_angle_alpha   81.29
_cell_angle_beta   64.43
_cell_angle_gamma   69.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VP4
_chemical_formula_sum   'V2 P8'
_cell_volume   158.57
_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  0.18  0.13  0.3  1.0
  P  P1  2  0.01  0.53  0.44  1.0
  P  P2  2  0.01  0.73  0.51  1.0
  P  P3  2  0.45  0.46  0.98  1.0
  P  P4  2  0.45  0.8  0.11  1.0

V V P P P P P P P P
V V P P P P P P P P 0 3 o - - 1 5 o + o 2 4 o + o 2 3 o o o 4 5 o o o 6 9 o o o 7 9 o o o 7 8 o o + 