data_Zn2SiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiPb
_chemical_formula_sum   'Zn2 Si1 Pb1'
_cell_volume   85.45
_cell_formula_units_Z   1
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  0.77  0.77  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.36  1.0
  Si  Si1  1  0.0  0.0  0.52  1.0
  Pb  Pb0  1  0.77  0.77  0.38  1.0

data_Zn2SiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SiPb
_chemical_formula_sum   'Zn4 Si2 Pb2'
_cell_volume   170.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.36  1.0
  Zn  Zn1  2  0.27  0.5  0.74  1.0
  Si  Si2  2  0.0  0.0  0.52  1.0
  Pb  Pb3  2  0.27  0.5  0.38  1.0

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