data_VP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP3
_chemical_formula_sum   'V2 P6'
_cell_volume   116.27
_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  0.73  0.58  0.37  1.0
  V  V7  1  0.0  0.16  0.12  1.0
  P  P0  1  0.16  0.83  0.37  1.0
  P  P1  1  0.84  0.83  0.37  1.0
  P  P2  1  0.0  0.81  0.37  1.0
  P  P3  1  0.57  0.91  0.12  1.0
  P  P4  1  0.9  0.91  0.12  1.0
  P  P5  1  0.73  0.92  0.12  1.0

data_VP3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VP3
_chemical_formula_sum   'V2 P6'
_cell_volume   116.27
_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  0.12  0.37  0.21  1.0
  P  P1  2  0.12  0.47  0.46  1.0
  P  P2  2  0.12  0.63  0.45  1.0
  P  P3  2  0.12  0.8  0.46  1.0

V V P P P P P P