data_KPb2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.38
_cell_length_b   8.38
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPb2Cl5
_chemical_formula_sum   'K4 Pb8 Cl20'
_cell_volume   934.3
_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  0.18  0.43  0.55  1.0
  K  K1  1  0.37  0.14  0.55  1.0
  K  K2  1  0.01  0.24  0.05  1.0
  K  K3  1  0.21  0.95  0.05  1.0
  Pb  Pb4  1  0.21  0.11  0.14  1.0
  Pb  Pb5  1  0.14  0.89  0.24  1.0
  Pb  Pb6  1  0.33  0.68  0.24  1.0
  Pb  Pb7  1  0.4  0.08  0.14  1.0
  Pb  Pb8  1  0.98  0.3  0.64  1.0
  Pb  Pb9  1  0.05  0.7  0.74  1.0
  Pb  Pb10  1  0.24  0.49  0.74  1.0
  Pb  Pb11  1  0.17  0.27  0.64  1.0
  Cl  Cl12  1  0.04  0.61  0.19  1.0
  Cl  Cl13  1  0.57  0.36  0.58  1.0
  Cl  Cl14  1  0.17  0.72  0.84  1.0
  Cl  Cl15  1  0.01  0.46  0.58  1.0
  Cl  Cl16  1  0.97  0.74  0.39  1.0
  Cl  Cl17  1  0.78  0.83  0.39  1.0
  Cl  Cl18  1  0.2  0.11  0.58  1.0
  Cl  Cl19  1  0.36  0.86  0.84  1.0
  Cl  Cl20  1  0.38  0.21  0.58  1.0
  Cl  Cl21  1  0.24  0.97  0.19  1.0
  Cl  Cl22  1  0.15  0.42  0.69  1.0
  Cl  Cl23  1  0.01  0.17  0.08  1.0
  Cl  Cl24  1  0.18  0.27  0.08  1.0
  Cl  Cl25  1  0.02  0.53  0.34  1.0
  Cl  Cl26  1  0.6  0.55  0.89  1.0
  Cl  Cl27  1  0.41  0.64  0.89  1.0
  Cl  Cl28  1  0.21  0.66  0.34  1.0
  Cl  Cl29  1  0.38  0.92  0.08  1.0
  Cl  Cl30  1  0.81  0.02  0.08  1.0
  Cl  Cl31  1  0.34  0.77  0.69  1.0

data_KPb2Cl5
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   8.38
_cell_length_b   9.0
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   KPb2Cl5
_chemical_formula_sum   'K4 Pb8 Cl20'
_cell_volume   934.3
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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  0.05  0.05  0.82  1.0
  K  K1  2  0.24  0.55  0.99  1.0
  Pb  Pb2  2  0.08  0.64  0.98  1.0
  Pb  Pb3  2  0.11  0.64  0.79  1.0
  Pb  Pb4  2  0.3  0.74  0.05  1.0
  Pb  Pb5  2  0.49  0.24  0.14  1.0
  Cl  Cl6  2  0.02  0.58  0.19  1.0
  Cl  Cl7  2  0.08  0.08  0.99  1.0
  Cl  Cl8  2  0.17  0.58  0.38  1.0
  Cl  Cl9  2  0.23  0.69  0.96  1.0
  Cl  Cl10  2  0.27  0.58  0.82  1.0
  Cl  Cl11  2  0.34  0.34  0.83  1.0
  Cl  Cl12  2  0.36  0.89  0.41  1.0
  Cl  Cl13  2  0.42  0.19  0.85  1.0
  Cl  Cl14  2  0.45  0.89  0.22  1.0
  Cl  Cl15  2  0.47  0.34  0.02  1.0

K K K K Pb Pb Pb Pb Pb Pb Pb Pb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl