data_LaGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePb2
_chemical_formula_sum   'La1 Ge1 Pb2'
_cell_volume   116.46
_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  0.49  0.0  0.58  1.0
  Ge  Ge0  1  0.0  0.0  0.57  1.0
  Pb  Pb2  1  0.0  0.0  0.01  1.0
  Pb  Pb3  1  0.49  0.0  0.57  1.0

data_LaGePb2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   LaGePb2
_chemical_formula_sum   'La1 Ge1 Pb2'
_cell_volume   116.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.58  1.0
  Ge  Ge1  1  0.5  0.0  0.57  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0
  Pb  Pb3  1  0.5  0.0  0.01  1.0

La Ge Pb Pb