data_GaPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPPb2
_chemical_formula_sum   'Ga1 P1 Pb2'
_cell_volume   99.64
_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
  Ga  Ga0  1  0.0  0.0  0.54  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.88  0.88  0.61  1.0
  Pb  Pb3  1  0.88  0.88  0.46  1.0

data_GaPPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPPb2
_chemical_formula_sum   'Ga2 P2 Pb4'
_cell_volume   199.28
_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
  Ga  Ga0  2  0.0  0.0  0.54  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.38  0.5  0.46  1.0
  Pb  Pb3  2  0.38  0.5  0.61  1.0

Ga P Pb Pb
Ga P Pb Pb 0 3 - - o 0 2 - - o 0 1 o o + 0 1 o o o 1 2 - - - 1 3 - - o 1 1 + o o 1 1 o + o 