data_CsPPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   5.8
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPPbO4
_chemical_formula_sum   'Cs4 P4 Pb4 O16'
_cell_volume   536.04
_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
  Cs  Cs0  1  0.23  0.35  0.94  1.0
  Cs  Cs1  1  0.27  0.35  0.81  1.0
  Cs  Cs2  1  0.85  0.45  0.23  1.0
  Cs  Cs3  1  0.81  0.45  0.36  1.0
  P  P4  1  0.42  0.35  0.83  1.0
  P  P5  1  0.38  0.35  0.75  1.0
  P  P6  1  0.66  0.45  0.33  1.0
  P  P7  1  0.71  0.45  0.41  1.0
  Pb  Pb8  1  0.59  0.35  0.8  1.0
  Pb  Pb9  1  0.63  0.35  0.78  1.0
  Pb  Pb10  1  0.5  0.45  0.36  1.0
  Pb  Pb11  1  0.46  0.45  0.38  1.0
  O  O12  1  0.5  0.35  0.85  1.0
  O  O13  1  0.46  0.35  0.9  1.0
  O  O14  1  0.58  0.45  0.32  1.0
  O  O15  1  0.63  0.45  0.26  1.0
  O  O16  1  0.11  0.35  0.22  1.0
  O  O17  1  0.07  0.35  0.36  1.0
  O  O18  1  0.97  0.45  0.94  1.0
  O  O19  1  0.02  0.45  0.8  1.0
  O  O20  1  0.53  0.63  0.66  1.0
  O  O21  1  0.49  0.07  0.92  1.0
  O  O22  1  0.56  0.73  0.5  1.0
  O  O23  1  0.6  0.17  0.24  1.0
  O  O24  1  0.56  0.17  0.5  1.0
  O  O25  1  0.6  0.73  0.24  1.0
  O  O26  1  0.53  0.07  0.66  1.0
  O  O27  1  0.49  0.63  0.92  1.0

data_CsPPbO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.8
_cell_length_b   9.16
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsPPbO4
_chemical_formula_sum   'Cs4 P4 Pb4 O16'
_cell_volume   536.04
_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
  Cs  Cs0  2  0.05  0.14  0.81  1.0
  Cs  Cs1  2  0.05  0.27  0.77  1.0
  P  P2  2  0.05  0.25  0.62  1.0
  P  P3  2  0.05  0.33  0.66  1.0
  Pb  Pb4  2  0.05  0.28  0.46  1.0
  Pb  Pb5  2  0.05  0.3  0.41  1.0
  O  O6  2  0.05  0.18  0.58  1.0
  O  O7  2  0.05  0.24  0.54  1.0
  O  O8  2  0.05  0.72  0.97  1.0
  O  O9  2  0.05  0.86  0.93  1.0
  O  O10  2  0.23  0.58  0.49  1.0
  O  O11  2  0.23  0.84  0.44  1.0
  O  O12  2  0.33  0.42  0.51  1.0
  O  O13  2  0.33  0.16  0.56  1.0

Cs Cs Cs Cs P P P P Pb Pb Pb Pb O O O O O O O O O O O O O O O O
Cs Cs Cs Cs P P P P Pb Pb Pb Pb O O O O O O O O O O O O O O O O 0 1 o o o 1 5 o o o 2 3 o o o 3 7 o o o 4 5 o o o 4 13 o o o 4 12 o o o 4 21 o o o 4 27 o o o 6 15 o o o 6 14 o o o 6 7 o o o 6 23 o o o 6 25 o o o 8 9 o o o 10 11 o o o 12 13 o o o 12 21 o o o 12 27 o o o 13 21 o o o 13 27 o o o 14 15 o o o 14 23 o o o 14 25 o o o 15 23 o o o 15 25 o o o 16 17 o o o 18 19 + o o 20 22 o o o 24 26 o o o 