data_Ti2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.45
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReRh
_chemical_formula_sum   'Ti2 Re1 Rh1'
_cell_volume   60.87
_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
  Ti  Ti2  1  0.92  0.23  0.9  1.0
  Ti  Ti3  1  0.74  0.0  0.28  1.0
  Re  Re0  1  0.86  0.23  0.37  1.0
  Rh  Rh1  1  0.81  0.0  0.78  1.0

data_Ti2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.45
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReRh
_chemical_formula_sum   'Ti2 Re1 Rh1'
_cell_volume   60.87
_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
  Ti  Ti0  1  0.74  0.0  0.28  1.0
  Ti  Ti1  1  0.92  0.23  0.9  1.0
  Re  Re2  1  0.86  0.23  0.37  1.0
  Rh  Rh3  1  0.81  0.0  0.78  1.0

Ti Ti Re Rh
Ti Ti Re Rh 0 3 o o o 1 2 o o o 