data_K3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44
_cell_length_b   11.27
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Pb
_chemical_formula_sum   'K12 Pb4'
_cell_volume   831.39
_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  0.22  0.45  0.59  1.0
  K  K1  1  0.0  0.82  0.13  1.0
  K  K2  1  0.44  0.45  0.94  1.0
  K  K3  1  0.22  0.82  0.48  1.0
  K  K4  1  0.75  0.53  0.27  1.0
  K  K5  1  0.47  0.74  0.74  1.0
  K  K6  1  0.97  0.37  0.33  1.0
  K  K7  1  0.68  0.9  0.8  1.0
  K  K8  1  0.68  0.74  0.8  1.0
  K  K9  1  0.97  0.53  0.33  1.0
  K  K10  1  0.47  0.9  0.74  1.0
  K  K11  1  0.75  0.37  0.27  1.0
  Pb  Pb12  1  0.06  0.45  1.0  1.0
  Pb  Pb13  1  0.6  0.82  0.46  1.0
  Pb  Pb14  1  0.84  0.45  0.61  1.0
  Pb  Pb15  1  0.38  0.82  0.07  1.0

data_K3Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.07
_cell_length_b   10.44
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3Pb
_chemical_formula_sum   'K12 Pb4'
_cell_volume   831.39
_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  0.09  0.78  0.68  1.0
  K  K1  2  0.24  0.53  0.4  1.0
  K  K2  2  0.24  0.53  0.24  1.0
  K  K3  2  0.3  0.75  0.24  1.0
  K  K4  2  0.3  0.75  0.4  1.0
  K  K5  2  0.44  0.0  0.68  1.0
  Pb  Pb6  2  0.04  0.16  0.68  1.0
  Pb  Pb7  2  0.43  0.38  0.68  1.0

K K K K K K K K K K K K Pb Pb Pb Pb