data_ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   146.8
_cell_angle_beta   127.69
_cell_angle_gamma   63.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn2 Pb2'
_cell_volume   97.7
_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  0.0  0.35  0.59  1.0
  Zn  Zn3  1  0.75  0.35  0.61  1.0
  Pb  Pb0  1  0.75  0.65  0.12  1.0
  Pb  Pb1  1  0.0  0.04  0.08  1.0

data_ZnPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.49
_cell_length_b   5.39
_cell_length_c   6.11
_cell_angle_alpha   116.16
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn2 Pb2'
_cell_volume   97.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.01  0.13  1.0
  Pb  Pb1  2  0.19  0.21  0.34  1.0

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