data_Ti2FeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   145.28
_cell_angle_beta   132.83
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeRh
_chemical_formula_sum   'Ti2 Fe1 Rh1'
_cell_volume   56.71
_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  0.0  0.0  0.93  1.0
  Ti  Ti3  1  0.54  0.0  0.33  1.0
  Fe  Fe0  1  0.0  0.0  0.35  1.0
  Rh  Rh1  1  0.0  0.06  0.26  1.0

data_Ti2FeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.13
_cell_length_c   5.16
_cell_angle_alpha   113.59
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeRh
_chemical_formula_sum   'Ti2 Fe1 Rh1'
_cell_volume   56.71
_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  0.0  0.33  0.79  1.0
  Ti  Ti1  1  0.0  0.93  0.93  1.0
  Fe  Fe2  1  0.0  0.35  0.35  1.0
  Rh  Rh3  1  0.94  0.2  0.2  1.0

Ti Ti Fe Rh