data_ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn6 Pb6'
_cell_volume   308.77
_cell_formula_units_Z   6
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
  Zn  Zn6  1  0.0  0.0  0.29  1.0
  Zn  Zn7  1  0.0  0.0  0.32  1.0
  Zn  Zn8  1  0.0  0.2  0.07  1.0
  Zn  Zn9  1  0.0  0.2  0.48  1.0
  Zn  Zn10  1  0.77  0.6  0.13  1.0
  Zn  Zn11  1  0.77  0.6  0.54  1.0
  Pb  Pb0  1  0.0  0.0  0.16  1.0
  Pb  Pb1  1  0.0  0.0  0.45  1.0
  Pb  Pb2  1  0.0  0.2  0.93  1.0
  Pb  Pb3  1  0.0  0.2  0.21  1.0
  Pb  Pb4  1  0.77  0.6  0.4  1.0
  Pb  Pb5  1  0.77  0.6  0.68  1.0

data_ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn6 Pb6'
_cell_volume   308.77
_cell_formula_units_Z   6
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
  Zn  Zn0  1  0.0  0.0  0.29  1.0
  Zn  Zn1  1  0.0  0.0  0.32  1.0
  Zn  Zn2  1  0.0  0.2  0.07  1.0
  Zn  Zn3  1  0.0  0.2  0.48  1.0
  Zn  Zn4  1  0.77  0.6  0.13  1.0
  Zn  Zn5  1  0.77  0.6  0.54  1.0
  Pb  Pb6  1  0.0  0.0  0.16  1.0
  Pb  Pb7  1  0.0  0.0  0.45  1.0
  Pb  Pb8  1  0.0  0.2  0.21  1.0
  Pb  Pb9  1  0.0  0.2  0.93  1.0
  Pb  Pb10  1  0.77  0.6  0.4  1.0
  Pb  Pb11  1  0.77  0.6  0.68  1.0

Zn Zn Zn Zn Zn Zn Pb Pb Pb Pb Pb Pb
Zn Zn Zn Zn Zn Zn Pb Pb Pb Pb Pb Pb 0 1 o o o 0 6 o o o 0 9 o o o 2 6 o o o 2 8 o o - 2 9 o o o 3 7 o o o 4 6 + + o 5 10 o o o 5 11 o o o 6 9 o o o 7 10 - - o 