data_Ti3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Rh
_chemical_formula_sum   'Ti6 Rh2'
_cell_volume   126.34
_cell_formula_units_Z   2
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
  Ti  Ti2  1  0.65  0.88  0.33  1.0
  Ti  Ti3  1  0.2  0.47  0.33  1.0
  Ti  Ti4  1  0.65  0.12  0.11  1.0
  Ti  Ti5  1  0.75  0.88  0.33  1.0
  Ti  Ti6  1  0.2  0.53  0.11  1.0
  Ti  Ti7  1  0.75  0.12  0.11  1.0
  Rh  Rh0  1  0.2  0.85  0.11  1.0
  Rh  Rh1  1  0.2  0.15  0.33  1.0

data_Ti3Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   108.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti3Rh
_chemical_formula_sum   'Ti6 Rh2'
_cell_volume   126.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti0  2  0.11  0.0  0.47  1.0
  Ti  Ti1  2  0.11  0.45  0.88  1.0
  Ti  Ti2  2  0.11  0.55  0.88  1.0
  Rh  Rh3  2  0.11  0.0  0.15  1.0

Ti Ti Ti Ti Ti Ti Rh Rh