data_KLa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.79
_cell_angle_alpha   95.65
_cell_angle_beta   95.65
_cell_angle_gamma   34.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Pb
_chemical_formula_sum   'K1 La2 Pb1'
_cell_volume   146.83
_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
  La  La1  1  0.86  0.0  0.01  1.0
  La  La2  1  0.33  0.0  0.75  1.0
  Pb  Pb3  1  0.6  0.0  0.38  1.0

data_KLa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   6.22
_cell_length_c   6.79
_cell_angle_alpha   95.65
_cell_angle_beta   90.0
_cell_angle_gamma   107.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Pb
_chemical_formula_sum   'K1 La2 Pb1'
_cell_volume   146.83
_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
  La  La1  1  0.0  0.14  0.99  1.0
  La  La2  1  0.0  0.67  0.25  1.0
  Pb  Pb3  1  0.0  0.4  0.62  1.0

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