data_TaTiAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiAlRh
_chemical_formula_sum   'Ta1 Ti1 Al1 Rh1'
_cell_volume   64.17
_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
  Ta  Ta1  1  0.77  0.77  0.77  1.0
  Ti  Ti0  1  0.59  0.59  0.59  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.18  0.18  0.18  1.0

data_TaTiAlRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaTiAlRh
_chemical_formula_sum   'Ta3 Ti3 Al3 Rh3'
_cell_volume   192.5
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ta  Ta0  3  0.0  0.0  0.23  1.0
  Ti  Ti1  3  0.0  0.0  0.41  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.82  1.0

Ta Ti Al Rh
Ta Ti Al Rh 0 1 o o o 2 3 o o o 
TiTaRhAl crystallizes in the trigonal R3m space group. Ti(1) is bonded in a 4-coordinate geometry to one Ta(1) and three equivalent Rh(1) atoms. The Ti(1)-Ta(1) bond length is 1.95 Å. All Ti(1)-Rh(1) bond lengths are 2.73 Å. Ta(1) is bonded in a 5-coordinate geometry to one Ti(1), three equivalent Rh(1), and one Al(1) atom. All Ta(1)-Rh(1) bond lengths are 2.73 Å. The Ta(1)-Al(1) bond length is 2.57 Å. Rh(1) is bonded in a distorted single-bond geometry to three equivalent Ti(1), three equivalent Ta(1), and one Al(1) atom. The Rh(1)-Al(1) bond length is 1.95 Å. Al(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Rh(1) atom.