data_Cu5PPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   51.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5PPb3
_chemical_formula_sum   'Cu10 P2 Pb6'
_cell_volume   334.55
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.71  0.0  0.0  1.0
  Cu  Cu1  1  0.58  0.0  0.62  1.0
  Cu  Cu2  1  0.58  0.0  0.0  1.0
  Cu  Cu3  1  0.71  0.0  0.62  1.0
  Cu  Cu4  1  0.04  0.81  0.93  1.0
  Cu  Cu5  1  0.25  0.81  0.93  1.0
  Cu  Cu6  1  0.14  0.05  0.93  1.0
  Cu  Cu7  1  0.25  0.19  0.31  1.0
  Cu  Cu8  1  0.04  0.19  0.31  1.0
  Cu  Cu9  1  0.14  0.95  0.31  1.0
  P  P10  1  0.0  0.0  0.0  1.0
  P  P11  1  0.0  0.0  0.62  1.0
  Pb  Pb12  1  0.95  0.31  0.93  1.0
  Pb  Pb13  1  0.33  0.31  0.93  1.0
  Pb  Pb14  1  0.14  0.85  0.93  1.0
  Pb  Pb15  1  0.33  0.69  0.31  1.0
  Pb  Pb16  1  0.95  0.69  0.31  1.0
  Pb  Pb17  1  0.14  0.15  0.31  1.0

data_Cu5PPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   7.83
_cell_length_c   9.03
_cell_angle_alpha   115.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5PPb3
_chemical_formula_sum   'Cu10 P2 Pb6'
_cell_volume   334.55
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.0  0.0  0.29  1.0
  Cu  Cu1  1  0.0  0.0  0.42  1.0
  Cu  Cu2  1  0.07  0.19  0.16  1.0
  Cu  Cu3  1  0.07  0.19  0.95  1.0
  Cu  Cu4  1  0.07  0.95  0.81  1.0
  Cu  Cu5  1  0.38  0.0  0.29  1.0
  Cu  Cu6  1  0.38  0.0  0.42  1.0
  Cu  Cu7  1  0.69  0.05  0.91  1.0
  Cu  Cu8  1  0.69  0.81  0.56  1.0
  Cu  Cu9  1  0.69  0.81  0.77  1.0
  P  P10  1  0.0  0.0  0.0  1.0
  P  P11  1  0.38  0.0  0.0  1.0
  Pb  Pb12  1  0.07  0.15  0.01  1.0
  Pb  Pb13  1  0.07  0.69  0.36  1.0
  Pb  Pb14  1  0.07  0.69  0.73  1.0
  Pb  Pb15  1  0.69  0.31  0.36  1.0
  Pb  Pb16  1  0.69  0.31  0.98  1.0
  Pb  Pb17  1  0.69  0.85  0.71  1.0

Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu P P Pb Pb Pb Pb Pb Pb
Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu P P Pb Pb Pb Pb Pb Pb 0 2 o o o 0 13 o o - 0 16 o - o 1 3 o o o 1 13 o o o 1 16 o - o 2 13 o o - 2 16 o - o 3 16 o - o 4 14 o o o 4 11 o + o 4 16 - o + 5 14 o o o 5 6 o + o 5 9 o o + 5 11 o + o 5 15 o o + 6 10 o o + 6 14 o - o 6 12 - o o 6 9 o - + 6 11 o o o 7 17 o o o 7 13 o o - 8 17 o o o 8 9 o - o 8 12 - o - 9 14 o o - 9 10 o + o 9 11 o + o 9 15 o o o 9 17 o + o 10 14 o - - 10 11 o o - 11 14 o - o 