data_PHF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   8.2
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PHF4
_chemical_formula_sum   'P4 H4 F16'
_cell_volume   341.28
_cell_formula_units_Z   4
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  P0  1  0.99  0.88  0.89  1.0
  P  P1  1  0.41  0.78  0.53  1.0
  P  P2  1  0.1  0.32  0.96  1.0
  P  P3  1  0.68  0.42  0.32  1.0
  H  H4  1  0.99  0.06  0.42  1.0
  H  H5  1  0.4  0.96  0.01  1.0
  H  H6  1  0.1  0.15  0.43  1.0
  H  H7  1  0.68  0.25  0.84  1.0
  F  F8  1  0.53  0.38  0.81  1.0
  F  F9  1  0.25  0.28  0.47  1.0
  F  F10  1  0.56  0.82  0.04  1.0
  F  F11  1  0.84  0.92  0.38  1.0
  F  F12  1  0.81  0.49  0.83  1.0
  F  F13  1  0.97  0.39  0.45  1.0
  F  F14  1  0.28  0.71  0.02  1.0
  F  F15  1  0.12  0.81  0.4  1.0
  F  F16  1  0.22  0.55  0.85  1.0
  F  F17  1  0.56  0.45  0.42  1.0
  F  F18  1  0.87  0.65  1.0  1.0
  F  F19  1  0.53  0.75  0.43  1.0
  F  F20  1  0.35  0.29  0.16  1.0
  F  F21  1  0.43  0.19  0.11  1.0
  F  F22  1  0.74  0.91  0.69  1.0
  F  F23  1  0.66  0.02  0.74  1.0

data_PHF4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.7
_cell_length_b   8.2
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PHF4
_chemical_formula_sum   'P4 H4 F16'
_cell_volume   341.28
_cell_formula_units_Z   4
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  0.02  0.28  0.97  1.0
  P  P1  2  0.24  0.18  0.61  1.0
  H  H2  2  0.28  0.65  0.92  1.0
  H  H3  2  0.46  0.54  0.51  1.0
  F  F4  2  0.02  0.15  0.5  1.0
  F  F5  2  0.07  0.31  0.76  1.0
  F  F6  2  0.14  0.89  0.9  1.0
  F  F7  2  0.2  0.41  0.81  1.0
  F  F8  2  0.25  0.05  0.07  1.0
  F  F9  2  0.34  0.68  0.54  1.0
  F  F10  2  0.4  0.78  0.88  1.0
  F  F11  2  0.4  0.21  0.48  1.0

P P P P H H H H F F F F F F F F F F F F F F F F