data_P4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4Cl
_chemical_formula_sum   'P16 Cl4'
_cell_volume   398.32
_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  P4  1  0.49  0.49  0.49  1.0
  P  P5  1  0.86  0.14  0.14  1.0
  P  P6  1  0.14  0.86  0.14  1.0
  P  P7  1  0.14  0.14  0.86  1.0
  P  P8  1  0.0  0.0  0.17  1.0
  P  P9  1  0.0  0.0  0.1  1.0
  P  P10  1  0.0  0.17  0.0  1.0
  P  P11  1  0.0  0.1  0.0  1.0
  P  P12  1  0.17  0.0  0.0  1.0
  P  P13  1  0.1  0.0  0.0  1.0
  P  P14  1  0.64  0.0  0.59  1.0
  P  P15  1  0.0  0.64  0.04  1.0
  P  P16  1  0.0  0.59  0.64  1.0
  P  P17  1  0.64  0.04  0.0  1.0
  P  P18  1  0.59  0.64  0.0  1.0
  P  P19  1  0.04  0.0  0.64  1.0
  Cl  Cl0  1  0.32  0.32  0.32  1.0
  Cl  Cl1  1  0.68  0.32  0.32  1.0
  Cl  Cl2  1  0.32  0.68  0.32  1.0
  Cl  Cl3  1  0.32  0.32  0.68  1.0

data_P4Cl
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.11
_cell_length_b   13.11
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   P4Cl
_chemical_formula_sum   'P48 Cl12'
_cell_volume   1194.97
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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  9  0.06  0.03  0.03  1.0
  P  P1  9  0.08  0.56  0.56  1.0
  P  P2  9  0.1  0.19  0.05  1.0
  P  P3  9  0.12  0.06  0.06  1.0
  P  P4  9  0.18  0.41  0.41  1.0
  P  P5  3  0.0  0.0  0.49  1.0
  Cl  Cl6  9  0.21  0.42  0.11  1.0
  Cl  Cl7  3  0.0  0.0  0.32  1.0

P P P P P P P P P P P P P P P P Cl Cl Cl Cl