data_P3Pb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pb5O12
_chemical_formula_sum   'P6 Pb10 O24'
_cell_volume   636.49
_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  P0  1  0.14  0.4  0.85  1.0
  P  P1  1  0.84  0.23  0.56  1.0
  P  P2  1  0.74  0.45  0.85  1.0
  P  P3  1  0.24  0.18  0.56  1.0
  P  P4  1  0.13  0.41  0.85  1.0
  P  P5  1  0.85  0.22  0.56  1.0
  Pb  Pb6  1  0.41  0.6  0.85  1.0
  Pb  Pb7  1  0.57  0.02  0.56  1.0
  Pb  Pb8  1  0.82  0.08  0.85  1.0
  Pb  Pb9  1  0.16  0.55  0.56  1.0
  Pb  Pb10  1  0.77  0.57  0.85  1.0
  Pb  Pb11  1  0.21  0.06  0.56  1.0
  Pb  Pb12  1  0.98  0.87  0.01  1.0
  Pb  Pb13  1  0.0  0.75  0.41  1.0
  Pb  Pb14  1  0.0  0.75  0.71  1.0
  Pb  Pb15  1  0.98  0.87  0.7  1.0
  O  O16  1  0.16  0.32  0.6  1.0
  O  O17  1  0.81  0.3  0.81  1.0
  O  O18  1  0.92  0.01  0.6  1.0
  O  O19  1  0.81  0.3  0.3  1.0
  O  O20  1  0.06  0.62  0.81  1.0
  O  O21  1  0.16  0.32  0.11  1.0
  O  O22  1  0.92  0.92  0.6  1.0
  O  O23  1  0.06  0.62  0.3  1.0
  O  O24  1  0.06  0.71  0.81  1.0
  O  O25  1  0.92  0.01  0.11  1.0
  O  O26  1  0.06  0.71  0.3  1.0
  O  O27  1  0.92  0.92  0.11  1.0
  O  O28  1  0.16  0.82  0.85  1.0
  O  O29  1  0.82  0.81  0.56  1.0
  O  O30  1  0.94  0.33  0.85  1.0
  O  O31  1  0.04  0.3  0.56  1.0
  O  O32  1  0.84  0.48  0.85  1.0
  O  O33  1  0.14  0.14  0.56  1.0
  O  O34  1  0.45  0.55  0.85  1.0
  O  O35  1  0.53  0.08  0.56  1.0
  O  O36  1  0.82  0.01  0.85  1.0
  O  O37  1  0.16  0.61  0.56  1.0
  O  O38  1  0.73  0.69  0.85  1.0
  O  O39  1  0.25  0.93  0.56  1.0

data_P3Pb5O12
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.41
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   P3Pb5O12
_chemical_formula_sum   'P6 Pb10 O24'
_cell_volume   636.49
_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  0.35  0.35  0.92  1.0
  P  P1  2  0.35  0.36  0.91  1.0
  P  P2  2  0.35  0.75  0.87  1.0
  Pb  Pb3  2  0.2  0.51  0.44  1.0
  Pb  Pb4  2  0.35  0.08  0.71  1.0
  Pb  Pb5  2  0.35  0.67  0.23  1.0
  Pb  Pb6  2  0.35  0.72  0.75  1.0
  Pb  Pb7  2  0.49  0.49  0.56  1.0
  O  O8  2  0.1  0.33  0.99  1.0
  O  O9  2  0.1  0.57  0.31  1.0
  O  O10  2  0.1  0.57  0.39  1.0
  O  O11  2  0.35  0.04  0.77  1.0
  O  O12  2  0.35  0.33  0.5  1.0
  O  O13  2  0.35  0.55  0.99  1.0
  O  O14  2  0.35  0.65  0.83  1.0
  O  O15  2  0.35  0.67  0.3  1.0
  O  O16  2  0.35  0.76  0.62  1.0
  O  O17  2  0.39  0.43  0.61  1.0
  O  O18  2  0.39  0.43  0.69  1.0
  O  O19  2  0.39  0.67  0.01  1.0

P P P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb O O O O O O O O O O O O O O O O O O O O O O O O