data_ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.97
_cell_angle_alpha   103.4
_cell_angle_beta   103.4
_cell_angle_gamma   29.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn3 Pb3'
_cell_volume   146.11
_cell_formula_units_Z   3
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  Zn3  1  0.74  0.0  0.72  1.0
  Zn  Zn4  1  0.67  0.0  0.23  1.0
  Zn  Zn5  1  0.18  0.0  0.1  1.0
  Pb  Pb0  1  0.86  0.0  0.32  1.0
  Pb  Pb1  1  0.19  0.0  0.94  1.0
  Pb  Pb2  1  0.55  0.0  0.62  1.0

data_ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.59
_cell_length_c   6.97
_cell_angle_alpha   103.4
_cell_angle_beta   90.0
_cell_angle_gamma   104.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPb
_chemical_formula_sum   'Zn3 Pb3'
_cell_volume   146.11
_cell_formula_units_Z   3
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  0.26  0.28  1.0
  Zn  Zn1  1  0.0  0.33  0.77  1.0
  Zn  Zn2  1  0.0  0.82  0.9  1.0
  Pb  Pb3  1  0.0  0.14  0.68  1.0
  Pb  Pb4  1  0.0  0.45  0.38  1.0
  Pb  Pb5  1  0.0  0.81  0.06  1.0

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