data_GaPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb3
_chemical_formula_sum   'Ga1 Pb3'
_cell_volume   116.9
_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  0.0  1.0
  Pb  Pb1  1  0.72  0.44  0.74  1.0
  Pb  Pb2  1  0.72  0.56  0.74  1.0
  Pb  Pb3  1  0.45  0.0  0.0  1.0

data_GaPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   109.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb3
_chemical_formula_sum   'Ga1 Pb3'
_cell_volume   116.9
_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  0.0  1.0
  Pb  Pb1  1  -0.0  0.45  0.0  1.0
  Pb  Pb2  1  0.74  0.72  0.44  1.0
  Pb  Pb3  1  0.74  0.72  0.56  1.0

Ga Pb Pb Pb