data_LiTi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.32
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Rh
_chemical_formula_sum   'Li1 Ti2 Rh1'
_cell_volume   61.01
_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  0.89  0.0  0.5  1.0
  Ti  Ti2  1  0.25  0.0  0.87  1.0
  Ti  Ti3  1  0.79  0.16  0.29  1.0
  Rh  Rh1  1  0.07  0.16  0.79  1.0

data_LiTi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.32
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Rh
_chemical_formula_sum   'Li1 Ti2 Rh1'
_cell_volume   61.01
_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  0.89  0.0  0.5  1.0
  Ti  Ti1  1  0.25  0.0  0.87  1.0
  Ti  Ti2  1  0.79  0.16  0.29  1.0
  Rh  Rh3  1  0.07  0.16  0.79  1.0

Li Ti Ti Rh