data_VPCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPCl
_chemical_formula_sum   'V1 P1 Cl1'
_cell_volume   45.41
_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
  V  V2  1  0.09  0.2  0.51  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  1.0  0.41  0.51  1.0

data_VPCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.17
_cell_length_b   3.01
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VPCl
_chemical_formula_sum   'V1 P1 Cl1'
_cell_volume   45.41
_cell_formula_units_Z   1
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  1  0.09  0.0  0.2  1.0
  P  P1  1  0.0  0.5  0.0  1.0
  Cl  Cl2  1  1.0  0.0  0.41  1.0

V P Cl
V P Cl 0 2 - o o 0 1 o o + 0 1 o o o 