data_KMnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   3.2
_cell_angle_alpha   94.84
_cell_angle_beta   94.84
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnPb2
_chemical_formula_sum   'K1 Mn1 Pb2'
_cell_volume   102.83
_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
  Mn  Mn1  1  0.35  0.0  0.0  1.0
  Pb  Pb2  1  0.44  0.43  0.58  1.0
  Pb  Pb3  1  0.44  0.57  0.58  1.0

data_KMnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   110.83
_cell_angle_beta   94.84
_cell_angle_gamma   94.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnPb2
_chemical_formula_sum   'K1 Mn1 Pb2'
_cell_volume   102.83
_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
  Mn  Mn1  1  0.0  0.35  0.0  1.0
  Pb  Pb2  1  0.58  0.44  0.57  1.0
  Pb  Pb3  1  0.58  0.44  0.43  1.0

K Mn Pb Pb
K Mn Pb Pb 0 1 o o o 2 3 o o o 