data_KMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.26
_cell_angle_alpha   90.89
_cell_angle_beta   90.89
_cell_angle_gamma   109.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPb2
_chemical_formula_sum   'K1 Mo1 Pb2'
_cell_volume   107.0
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.4  0.0  0.0  1.0
  Pb  Pb2  1  0.66  0.59  0.63  1.0
  Pb  Pb3  1  0.66  0.41  0.63  1.0

data_KMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   109.67
_cell_angle_beta   90.89
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPb2
_chemical_formula_sum   'K1 Mo1 Pb2'
_cell_volume   107.0
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.4  0.0  1.0
  Pb  Pb2  1  0.63  0.66  0.41  1.0
  Pb  Pb3  1  0.63  0.66  0.59  1.0

K Mo Pb Pb
K Mo Pb Pb 0 2 - - - 0 1 o o o 1 3 o o - 2 3 o o o 