data_GaPPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   7.96
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPPb3
_chemical_formula_sum   'Ga4 P4 Pb12'
_cell_volume   602.98
_cell_formula_units_Z   4
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  0.57  0.58  0.43  1.0
  Ga  Ga1  1  0.71  0.38  0.41  1.0
  Ga  Ga2  1  0.43  0.36  0.43  1.0
  Ga  Ga3  1  0.86  0.6  0.41  1.0
  P  P4  1  0.91  0.51  0.18  1.0
  P  P5  1  0.38  0.45  0.2  1.0
  P  P6  1  0.76  0.43  0.18  1.0
  P  P7  1  0.52  0.53  0.2  1.0
  Pb  Pb8  1  0.07  0.22  0.26  1.0
  Pb  Pb9  1  0.22  0.75  0.29  1.0
  Pb  Pb10  1  0.22  0.73  0.26  1.0
  Pb  Pb11  1  0.07  0.23  0.29  1.0
  Pb  Pb12  1  0.27  0.41  0.97  1.0
  Pb  Pb13  1  0.02  0.55  1.0  1.0
  Pb  Pb14  1  0.41  0.57  0.97  1.0
  Pb  Pb15  1  0.87  0.39  1.0  1.0
  Pb  Pb16  1  0.6  0.31  0.73  1.0
  Pb  Pb17  1  0.68  0.65  0.76  1.0
  Pb  Pb18  1  0.75  0.67  0.73  1.0
  Pb  Pb19  1  0.54  0.29  0.76  1.0

data_GaPPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   7.96
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPPb3
_chemical_formula_sum   'Ga4 P4 Pb12'
_cell_volume   602.98
_cell_formula_units_Z   4
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  0.43  0.36  0.43  1.0
  Ga  Ga1  1  0.57  0.58  0.43  1.0
  Ga  Ga2  1  0.71  0.38  0.41  1.0
  Ga  Ga3  1  0.86  0.6  0.41  1.0
  P  P4  1  0.38  0.45  0.2  1.0
  P  P5  1  0.52  0.53  0.2  1.0
  P  P6  1  0.76  0.43  0.18  1.0
  P  P7  1  0.91  0.51  0.18  1.0
  Pb  Pb8  1  0.02  0.55  1.0  1.0
  Pb  Pb9  1  0.07  0.23  0.29  1.0
  Pb  Pb10  1  0.07  0.22  0.26  1.0
  Pb  Pb11  1  0.22  0.75  0.29  1.0
  Pb  Pb12  1  0.22  0.73  0.26  1.0
  Pb  Pb13  1  0.27  0.41  0.97  1.0
  Pb  Pb14  1  0.41  0.57  0.97  1.0
  Pb  Pb15  1  0.54  0.29  0.76  1.0
  Pb  Pb16  1  0.6  0.31  0.73  1.0
  Pb  Pb17  1  0.68  0.65  0.76  1.0
  Pb  Pb18  1  0.75  0.67  0.73  1.0
  Pb  Pb19  1  0.87  0.39  1.0  1.0

Ga Ga Ga Ga P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
Ga Ga Ga Ga P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 4 6 o o o 5 7 o o o 8 11 o o o 9 10 o o o 12 14 o o o 13 15 - o o 16 19 o o o 17 18 o o o 