data_TiFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.74
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   35.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeRh2
_chemical_formula_sum   'Ti1 Fe1 Rh2'
_cell_volume   56.9
_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  Ti3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.91  0.0  0.32  1.0
  Rh  Rh1  1  0.49  0.0  0.45  1.0
  Rh  Rh2  1  0.32  0.0  0.19  1.0

data_TiFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.59
_cell_length_c   4.74
_cell_angle_alpha   100.8
_cell_angle_beta   90.0
_cell_angle_gamma   107.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeRh2
_chemical_formula_sum   'Ti1 Fe1 Rh2'
_cell_volume   56.9
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.09  0.68  1.0
  Rh  Rh2  1  0.0  0.51  0.55  1.0
  Rh  Rh3  1  0.0  0.68  0.81  1.0

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