data_GaGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.95
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   35.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePb2
_chemical_formula_sum   'Ga1 Ge1 Pb2'
_cell_volume   104.76
_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
  Ge  Ge1  1  0.74  0.0  0.93  1.0
  Pb  Pb2  1  0.67  0.0  0.48  1.0
  Pb  Pb3  1  0.82  0.0  0.37  1.0

data_GaGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.55
_cell_length_c   5.95
_cell_angle_alpha   99.94
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePb2
_chemical_formula_sum   'Ga1 Ge1 Pb2'
_cell_volume   104.76
_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
  Ge  Ge1  1  0.0  0.26  0.07  1.0
  Pb  Pb2  1  0.0  0.18  0.63  1.0
  Pb  Pb3  1  0.0  0.33  0.52  1.0

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