data_TiCdInRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdInRe
_chemical_formula_sum   'Ti1 Cd1 In1 Re1'
_cell_volume   71.1
_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
  Cd  Cd2  1  0.64  0.64  0.64  1.0
  In  In3  1  0.93  0.93  0.93  1.0
  Re  Re1  1  0.29  0.29  0.29  1.0

data_TiCdInRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiCdInRe
_chemical_formula_sum   'Ti3 Cd3 In3 Re3'
_cell_volume   213.31
_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
  Ti  Ti0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.36  1.0
  In  In2  3  0.0  0.0  0.07  1.0
  Re  Re3  3  0.0  0.0  0.71  1.0

Ti Cd In Re
Ti Cd In Re 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + o 2 3 + o + 2 3 o + + 
TiReCdIn crystallizes in the trigonal R3m space group. Ti(1) is bonded in a single-bond geometry to four equivalent Re(1), three equivalent Cd(1), and one In(1) atom. There are three shorter (2.73 Å) and one longer (3.28 Å) Ti(1)-Re(1) bond length. All Ti(1)-Cd(1) bond lengths are 2.70 Å. The Ti(1)-In(1) bond length is 0.77 Å. Re(1) is bonded in a distorted q6 geometry to four equivalent Ti(1), three equivalent Cd(1), and three equivalent In(1) atoms. All Re(1)-Cd(1) bond lengths are 2.70 Å. All Re(1)-In(1) bond lengths are 2.70 Å. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Ti(1), three equivalent Re(1), and four equivalent In(1) atoms. There are three shorter (2.73 Å) and one longer (3.28 Å) Cd(1)-In(1) bond length. In(1) is bonded in a single-bond geometry to one Ti(1), three equivalent Re(1), and four equivalent Cd(1) atoms.