data_PF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PF5
_chemical_formula_sum   'P2 F10'
_cell_volume   132.12
_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
  P  P10  1  0.0  0.98  0.43  1.0
  P  P11  1  0.58  0.49  0.29  1.0
  F  F0  1  0.58  0.49  0.18  1.0
  F  F1  1  0.0  0.44  0.43  1.0
  F  F2  1  0.66  0.76  0.43  1.0
  F  F3  1  0.34  0.76  0.43  1.0
  F  F4  1  0.58  0.49  0.68  1.0
  F  F5  1  0.0  0.98  0.03  1.0
  F  F6  1  0.24  0.72  0.29  1.0
  F  F7  1  0.92  0.72  0.29  1.0
  F  F8  1  0.58  0.04  0.29  1.0
  F  F9  1  0.0  0.98  0.54  1.0

data_PF5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PF5
_chemical_formula_sum   'P2 F10'
_cell_volume   132.12
_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
  P  P0  2  0.29  0.25  0.93  1.0
  F  F1  2  0.05  0.52  0.07  1.0
  F  F2  2  0.29  0.25  0.32  1.0
  F  F3  2  0.29  0.25  0.82  1.0
  F  F4  2  0.29  0.8  0.93  1.0
  F  F5  2  0.37  0.52  0.07  1.0

P P F F F F F F F F F F
P P F F F F F F F F F F 0 11 o o o 0 4 - o o 0 7 o o o 0 9 - o o 1 2 o o o 1 4 o o o 1 6 o o o 1 9 o o o 2 9 o o o 3 9 - o o 3 8 o o o 3 5 o o o 4 10 o + o 4 5 o o o 4 9 o o o 4 11 + o o 4 6 o o o 5 8 o o o 5 10 o + o 7 9 - o o 8 9 - o o 8 10 o + o 