data_KCu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.74
_cell_angle_alpha   107.97
_cell_angle_beta   107.97
_cell_angle_gamma   59.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Pb
_chemical_formula_sum   'K1 Cu2 Pb1'
_cell_volume   107.19
_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  0.61  0.0  0.29  1.0
  Cu  Cu0  1  0.32  0.0  0.92  1.0
  Cu  Cu1  1  0.18  0.0  0.89  1.0
  Pb  Pb3  1  0.15  0.0  0.64  1.0

data_KCu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.44
_cell_length_c   6.74
_cell_angle_alpha   107.97
_cell_angle_beta   90.0
_cell_angle_gamma   119.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Pb
_chemical_formula_sum   'K1 Cu2 Pb1'
_cell_volume   107.19
_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  0.39  0.71  1.0
  Cu  Cu1  1  0.0  0.68  0.08  1.0
  Cu  Cu2  1  0.0  0.82  0.11  1.0
  Pb  Pb3  1  0.0  0.85  0.36  1.0

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