data_Zn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   112.67
_cell_angle_beta   112.67
_cell_angle_gamma   103.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pb
_chemical_formula_sum   'Zn4 Pb2'
_cell_volume   141.24
_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
  Zn  Zn2  1  0.91  0.25  0.0  1.0
  Zn  Zn3  1  0.25  0.91  0.54  1.0
  Zn  Zn4  1  0.07  0.91  0.0  1.0
  Zn  Zn5  1  0.09  0.25  0.54  1.0
  Pb  Pb0  1  0.0  0.0  0.31  1.0
  Pb  Pb1  1  0.0  0.0  0.77  1.0

data_Zn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   103.25
_cell_angle_beta   112.67
_cell_angle_gamma   112.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pb
_chemical_formula_sum   'Zn4 Pb2'
_cell_volume   141.24
_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
  Zn  Zn0  1  -0.0  0.93  0.09  1.0
  Zn  Zn1  1  -0.0  0.09  0.75  1.0
  Zn  Zn2  1  0.54  0.28  0.63  1.0
  Zn  Zn3  1  0.54  0.44  0.28  1.0
  Pb  Pb4  1  0.31  0.31  0.31  1.0
  Pb  Pb5  1  0.77  0.77  0.77  1.0

Zn Zn Zn Zn Pb Pb
Zn Zn Zn Zn Pb Pb 0 5 + o - 1 4 o + o 1 5 o + o 2 5 o + - 2 4 o + o 3 4 o o o 