data_KLiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.87
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiPb2
_chemical_formula_sum   'K1 Li1 Pb2'
_cell_volume   129.67
_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  0.35  0.44  0.4  1.0
  Li  Li1  1  0.89  0.0  0.41  1.0
  Pb  Pb2  1  0.79  0.44  0.74  1.0
  Pb  Pb3  1  0.16  0.0  0.55  1.0

data_KLiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.87
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiPb2
_chemical_formula_sum   'K1 Li1 Pb2'
_cell_volume   129.67
_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  0.35  0.44  0.4  1.0
  Li  Li1  1  0.89  0.0  0.41  1.0
  Pb  Pb2  1  0.16  0.0  0.55  1.0
  Pb  Pb3  1  0.79  0.44  0.74  1.0

K Li Pb Pb
K Li Pb Pb 0 3 o o o 0 3 o + o 0 1 - o o 0 1 - + o 0 1 o o o 0 2 - o o 0 2 o o o 1 3 + o o 1 2 o o o 1 2 o - o 2 3 o o o 2 3 + o o 2 3 + + o 2 2 + o o 