data_LiLa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.01
_cell_angle_alpha   99.65
_cell_angle_beta   99.65
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Pb
_chemical_formula_sum   'Li1 La2 Pb1'
_cell_volume   125.04
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.14  0.0  0.31  1.0
  La  La1  1  0.54  0.0  0.61  1.0
  Pb  Pb3  1  0.34  0.0  0.96  1.0

data_LiLa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   6.01
_cell_length_c   6.14
_cell_angle_alpha   99.65
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Pb
_chemical_formula_sum   'Li1 La2 Pb1'
_cell_volume   125.04
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.31  0.14  1.0
  La  La2  1  0.0  0.61  0.54  1.0
  Pb  Pb3  1  0.0  0.96  0.34  1.0

Li La La Pb
Li La La Pb 0 3 o o - 0 1 o o o 1 2 o o o 1 3 o o - 2 3 o o o 