data_LiLa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.78
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   97.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Rh
_chemical_formula_sum   'Li1 La2 Rh1'
_cell_volume   107.43
_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  0.97  0.89  0.25  1.0
  La  La1  1  0.97  0.89  0.12  1.0
  Rh  Rh3  1  0.54  0.0  0.68  1.0

data_LiLa2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.86
_cell_length_c   7.42
_cell_angle_alpha   97.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Rh
_chemical_formula_sum   'Li1 La2 Rh1'
_cell_volume   107.43
_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  0.11  0.03  0.75  1.0
  La  La2  1  0.11  0.03  0.88  1.0
  Rh  Rh3  1  0.0  0.46  0.32  1.0

Li La La Rh
Li La La Rh 0 2 - - o 0 3 o o - 0 3 - o - 1 2 o o o 1 3 + + o 1 3 o + o 2 3 o + - 3 3 o + o 