data_KCu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   120.67
_cell_angle_beta   120.67
_cell_angle_gamma   88.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Pb
_chemical_formula_sum   'K1 Cu2 Pb1'
_cell_volume   90.39
_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  K2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.5  0.81  1.0
  Cu  Cu1  1  0.5  0.0  0.81  1.0
  Pb  Pb3  1  0.0  0.0  0.61  1.0

data_KCu2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   134.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCu2Pb
_chemical_formula_sum   'K2 Cu4 Pb2'
_cell_volume   180.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.45  0.25  0.7  1.0
  Pb  Pb2  2  0.39  0.0  0.39  1.0

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