data_LaGePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   147.38
_cell_angle_beta   142.52
_cell_angle_gamma   50.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePb
_chemical_formula_sum   'La1 Ge1 Pb1'
_cell_volume   82.18
_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
  La  La1  1  0.0  0.0  0.99  1.0
  Ge  Ge0  1  0.0  0.0  0.11  1.0
  Pb  Pb2  1  0.0  0.0  0.33  1.0

data_LaGePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.06
_cell_length_c   6.31
_cell_angle_alpha   108.74
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePb
_chemical_formula_sum   'La1 Ge1 Pb1'
_cell_volume   82.18
_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
  La  La0  1  0.0  0.99  0.99  1.0
  Ge  Ge1  1  0.0  0.11  0.11  1.0
  Pb  Pb2  1  0.0  0.33  0.33  1.0

La Ge Pb
La Ge Pb 0 1 o o + 1 2 o o o 