data_LiTiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.07
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   91.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiRh2
_chemical_formula_sum   'Li1 Ti1 Rh2'
_cell_volume   54.68
_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
  Ti  Ti3  1  0.91  0.0  0.93  1.0
  Rh  Rh1  1  0.47  0.54  0.44  1.0
  Rh  Rh2  1  0.38  0.54  0.42  1.0

data_LiTiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.07
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   91.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiRh2
_chemical_formula_sum   'Li1 Ti1 Rh2'
_cell_volume   54.68
_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
  Ti  Ti1  1  0.91  0.0  0.93  1.0
  Rh  Rh2  1  0.38  0.54  0.42  1.0
  Rh  Rh3  1  0.47  0.54  0.44  1.0

Li Ti Rh Rh
Li Ti Rh Rh 0 1 - o - 2 3 o o o 