data_ZnGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   126.26
_cell_angle_beta   126.26
_cell_angle_gamma   79.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaPb2
_chemical_formula_sum   'Zn1 Ga1 Pb2'
_cell_volume   101.72
_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  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.19  1.0
  Pb  Pb1  1  0.0  0.46  0.1  1.0
  Pb  Pb2  1  0.46  0.0  0.1  1.0

data_ZnGaPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   129.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGaPb2
_chemical_formula_sum   'Zn2 Ga2 Pb4'
_cell_volume   203.45
_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  0.0  1.0
  Ga  Ga1  2  0.31  0.5  0.81  1.0
  Pb  Pb2  4  0.14  0.23  0.37  1.0

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