data_KZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   146.7
_cell_angle_beta   144.98
_cell_angle_gamma   49.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnPb
_chemical_formula_sum   'K1 Zn1 Pb1'
_cell_volume   101.28
_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  0.02  1.0
  Zn  Zn2  1  0.0  0.0  0.51  1.0
  Pb  Pb1  1  0.0  0.0  0.96  1.0

data_KZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.13
_cell_length_c   6.86
_cell_angle_alpha   107.51
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnPb
_chemical_formula_sum   'K1 Zn1 Pb1'
_cell_volume   101.28
_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  0.02  0.02  1.0
  Zn  Zn1  1  0.0  0.51  0.51  1.0
  Pb  Pb2  1  0.0  0.96  0.96  1.0

K Zn Pb
K Zn Pb 0 2 o o - 0 1 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o - 1 2 o o o 