data_KZn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.92
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Pb
_chemical_formula_sum   'K1 Zn2 Pb1'
_cell_volume   116.39
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.08  0.46  0.95  1.0
  Zn  Zn3  1  0.8  0.46  0.1  1.0
  Pb  Pb1  1  0.94  0.0  0.53  1.0

data_KZn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.92
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Pb
_chemical_formula_sum   'K1 Zn2 Pb1'
_cell_volume   116.39
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.08  0.46  0.95  1.0
  Zn  Zn2  1  0.8  0.46  0.1  1.0
  Pb  Pb3  1  0.94  0.0  0.53  1.0

K Zn Zn Pb
K Zn Zn Pb 0 2 - - o 0 2 - o o 0 1 o - - 0 1 o o - 0 3 - o o 0 3 - o - 1 2 - o + 1 3 - + o 1 3 - o o 2 3 o + o 2 3 o o o 3 3 + o o 
KZn2Pb crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), and two equivalent Pb(1) atoms. There is one shorter (2.32 Å) and one longer (2.71 Å) K(1)-Zn(1) bond length. There is one shorter (2.51 Å) and one longer (2.88 Å) K(1)-Zn(2) bond length. There is one shorter (3.38 Å) and one longer (3.83 Å) K(1)-Pb(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Zn(2) atoms. There is one shorter (1.62 Å) and one longer (2.44 Å) Zn(1)-Zn(2) bond length. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Zn(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Pb(1) atoms. Both Pb(1)-Pb(1) bond lengths are 3.36 Å.