data_K2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.77
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   95.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlPb
_chemical_formula_sum   'K2 Al1 Pb1'
_cell_volume   135.89
_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  K1  1  0.66  0.89  0.61  1.0
  K  K2  1  0.42  0.89  0.83  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.71  0.0  0.22  1.0

data_K2AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.77
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   95.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlPb
_chemical_formula_sum   'K2 Al1 Pb1'
_cell_volume   135.89
_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  0.42  0.89  0.83  1.0
  K  K1  1  0.66  0.89  0.61  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.71  0.0  0.22  1.0

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