data_GaGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.51
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePb2
_chemical_formula_sum   'Ga1 Ge1 Pb2'
_cell_volume   104.35
_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  0.75  0.0  0.36  1.0
  Ge  Ge1  1  0.18  0.25  0.79  1.0
  Pb  Pb2  1  0.89  0.0  0.35  1.0
  Pb  Pb3  1  0.54  0.25  0.89  1.0

data_GaGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.51
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePb2
_chemical_formula_sum   'Ga1 Ge1 Pb2'
_cell_volume   104.35
_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  0.75  0.0  0.36  1.0
  Ge  Ge1  1  0.18  0.25  0.79  1.0
  Pb  Pb2  1  0.54  0.25  0.89  1.0
  Pb  Pb3  1  0.89  0.0  0.35  1.0

Ga Ge Pb Pb
Ga Ge Pb Pb 0 2 o o o 1 3 o o o 