data_Ga2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   136.94
_cell_angle_beta   136.94
_cell_angle_gamma   62.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PPb
_chemical_formula_sum   'Ga2 P1 Pb1'
_cell_volume   88.77
_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  0.12  0.0  0.47  1.0
  Ga  Ga1  1  0.0  0.12  0.47  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.94  1.0

data_Ga2PPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   121.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2PPb
_chemical_formula_sum   'Ga4 P2 Pb2'
_cell_volume   177.54
_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  4  0.44  0.44  0.35  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.94  1.0

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