data_KSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.72
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   35.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbPb2
_chemical_formula_sum   'K1 Sb1 Pb2'
_cell_volume   145.0
_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  0.18  0.0  0.92  1.0
  Sb  Sb3  1  0.42  0.0  0.92  1.0
  Pb  Pb1  1  0.02  0.0  0.44  1.0
  Pb  Pb2  1  0.46  0.0  0.68  1.0

data_KSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   6.15
_cell_length_c   6.72
_cell_angle_alpha   98.26
_cell_angle_beta   90.0
_cell_angle_gamma   107.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbPb2
_chemical_formula_sum   'K1 Sb1 Pb2'
_cell_volume   145.0
_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  0.82  0.08  1.0
  Sb  Sb1  1  0.0  0.58  0.08  1.0
  Pb  Pb2  1  0.0  0.54  0.32  1.0
  Pb  Pb3  1  0.0  0.98  0.56  1.0

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