data_K4Pb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   13.47
_cell_length_c   16.2
_cell_angle_alpha   90.0
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Pb9
_chemical_formula_sum   'K16 Pb36'
_cell_volume   2087.33
_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
  K  K0  1  0.17  0.48  0.41  1.0
  K  K1  1  0.46  0.1  0.96  1.0
  K  K2  1  0.17  0.72  0.41  1.0
  K  K3  1  0.66  0.37  0.82  1.0
  K  K4  1  0.98  0.04  0.93  1.0
  K  K5  1  0.15  0.43  0.84  1.0
  K  K6  1  0.83  0.42  0.34  1.0
  K  K7  1  0.83  0.31  0.34  1.0
  K  K8  1  0.98  0.69  0.93  1.0
  K  K9  1  0.15  0.78  0.84  1.0
  K  K10  1  0.3  0.16  0.44  1.0
  K  K11  1  0.96  0.99  0.36  1.0
  K  K12  1  0.96  0.75  0.36  1.0
  K  K13  1  0.37  0.1  0.2  1.0
  K  K14  1  0.3  0.05  0.44  1.0
  K  K15  1  0.76  0.37  0.57  1.0
  Pb  Pb16  1  0.39  0.1  0.89  1.0
  Pb  Pb17  1  0.66  0.1  0.98  1.0
  Pb  Pb18  1  0.46  0.37  0.79  1.0
  Pb  Pb19  1  0.4  0.58  0.95  1.0
  Pb  Pb20  1  0.31  0.69  0.46  1.0
  Pb  Pb21  1  0.06  0.1  0.77  1.0
  Pb  Pb22  1  0.72  0.89  0.83  1.0
  Pb  Pb23  1  0.4  0.52  0.33  1.0
  Pb  Pb24  1  0.81  0.78  0.31  1.0
  Pb  Pb25  1  0.01  0.1  0.85  1.0
  Pb  Pb26  1  0.37  0.96  0.93  1.0
  Pb  Pb27  1  0.72  0.79  0.44  1.0
  Pb  Pb28  1  0.31  0.51  0.46  1.0
  Pb  Pb29  1  0.72  0.94  0.44  1.0
  Pb  Pb30  1  0.75  0.98  0.81  1.0
  Pb  Pb31  1  0.16  0.97  0.08  1.0
  Pb  Pb32  1  0.75  0.75  0.81  1.0
  Pb  Pb33  1  0.23  0.37  0.13  1.0
  Pb  Pb34  1  0.4  0.68  0.33  1.0
  Pb  Pb35  1  0.07  0.37  1.0  1.0
  Pb  Pb36  1  0.53  0.37  0.46  1.0
  Pb  Pb37  1  0.4  0.63  0.95  1.0
  Pb  Pb38  1  0.16  0.77  0.08  1.0
  Pb  Pb39  1  0.38  0.48  0.96  1.0
  Pb  Pb40  1  0.89  0.1  0.64  1.0
  Pb  Pb41  1  0.72  0.84  0.83  1.0
  Pb  Pb42  1  0.97  0.5  0.69  1.0
  Pb  Pb43  1  0.74  0.37  0.89  1.0
  Pb  Pb44  1  0.97  0.7  0.69  1.0
  Pb  Pb45  1  0.38  0.72  0.96  1.0
  Pb  Pb46  1  0.81  0.96  0.31  1.0
  Pb  Pb47  1  0.59  0.1  0.32  1.0
  Pb  Pb48  1  0.37  0.77  0.93  1.0
  Pb  Pb49  1  0.76  0.7  0.84  1.0
  Pb  Pb50  1  0.76  0.5  0.84  1.0
  Pb  Pb51  1  0.12  0.37  0.92  1.0

data_K4Pb9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.83
_cell_length_b   13.47
_cell_length_c   16.2
_cell_angle_alpha   90.0
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K4Pb9
_chemical_formula_sum   'K16 Pb36'
_cell_volume   2087.33
_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
  K  K0  2  0.08  0.19  0.45  1.0
  K  K1  2  0.08  0.54  0.45  1.0
  K  K2  2  0.11  0.25  0.03  1.0
  K  K3  2  0.11  0.49  0.03  1.0
  K  K4  2  0.23  0.81  0.05  1.0
  K  K5  2  0.23  0.92  0.05  1.0
  K  K6  2  0.31  0.87  0.82  1.0
  K  K7  2  0.4  0.87  0.57  1.0
  Pb  Pb8  2  0.01  0.13  0.61  1.0
  Pb  Pb9  2  0.06  0.13  0.54  1.0
  Pb  Pb10  2  0.09  0.53  0.7  1.0
  Pb  Pb11  2  0.09  0.73  0.7  1.0
  Pb  Pb12  2  0.17  0.13  0.75  1.0
  Pb  Pb13  2  0.25  0.28  0.07  1.0
  Pb  Pb14  2  0.25  0.46  0.07  1.0
  Pb  Pb15  2  0.31  0.54  0.54  1.0
  Pb  Pb16  2  0.31  0.73  0.54  1.0
  Pb  Pb17  2  0.31  0.25  0.58  1.0
  Pb  Pb18  2  0.31  0.48  0.58  1.0
  Pb  Pb19  2  0.32  0.87  0.5  1.0
  Pb  Pb20  2  0.34  0.34  0.56  1.0
  Pb  Pb21  2  0.34  0.39  0.56  1.0
  Pb  Pb22  2  0.34  0.29  0.94  1.0
  Pb  Pb23  2  0.34  0.44  0.94  1.0
  Pb  Pb24  2  0.4  0.13  0.4  1.0
  Pb  Pb25  2  0.47  0.13  0.07  1.0

K K K K K K K K K K K K K K K K Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
K K K K K K K K K K K K K K K K Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 28 o o o 1 16 o o o 1 17 o o o 1 26 o - o 2 20 o o o 3 43 o o o 3 18 o o o 3 50 o o o 4 25 + o o 4 31 + - + 5 51 o o o 5 42 - o o 6 7 o o o 8 49 o o o 8 32 o o o 8 9 + o o 8 38 + o + 9 44 - o o 9 48 o o o 9 45 o o o 10 14 o o o 11 46 o o o 12 24 o o o 13 47 o o o 13 31 o - o 15 36 o o o 15 42 o o o 16 26 o - o 19 37 o o o 19 39 o o o 20 34 o o o 21 25 o o o 21 40 - o o 22 41 o o o 22 30 o o o 23 28 o o o 23 34 o o o 23 36 o o o 24 27 o o o 27 29 o o o 28 36 o o o 29 46 o o o 29 47 o + o 31 38 o o o 32 49 o o o 33 35 o o - 35 51 o o o 42 44 o o o 43 50 o o o 45 48 o o o 46 47 o + o 