data_Ti5W24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5W24
_chemical_formula_sum   'Ti5 W24'
_cell_volume   489.1
_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  0.1  0.9  0.1  1.0
  Ti  Ti1  1  0.9  0.1  0.1  1.0
  Ti  Ti2  1  0.1  0.1  0.9  1.0
  Ti  Ti3  1  0.86  0.86  0.86  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.93  0.07  0.85  1.0
  W  W6  1  0.07  0.93  0.85  1.0
  W  W7  1  0.93  0.93  0.08  1.0
  W  W8  1  0.03  0.03  0.11  1.0
  W  W9  1  0.93  0.08  0.93  1.0
  W  W10  1  0.03  0.11  0.03  1.0
  W  W11  1  0.07  0.85  0.93  1.0
  W  W12  1  0.93  0.85  0.07  1.0
  W  W13  1  0.85  0.07  0.93  1.0
  W  W14  1  0.85  0.93  0.07  1.0
  W  W15  1  0.11  0.03  0.03  1.0
  W  W16  1  0.08  0.93  0.93  1.0
  W  W17  1  0.61  0.39  0.36  1.0
  W  W18  1  0.39  0.61  0.36  1.0
  W  W19  1  0.58  0.58  0.61  1.0
  W  W20  1  0.39  0.39  0.57  1.0
  W  W21  1  0.58  0.61  0.58  1.0
  W  W22  1  0.39  0.57  0.39  1.0
  W  W23  1  0.39  0.36  0.61  1.0
  W  W24  1  0.61  0.36  0.39  1.0
  W  W25  1  0.36  0.39  0.61  1.0
  W  W26  1  0.36  0.61  0.39  1.0
  W  W27  1  0.57  0.39  0.39  1.0
  W  W28  1  0.61  0.58  0.58  1.0

data_Ti5W24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.04
_cell_length_b   14.04
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ti5W24
_chemical_formula_sum   'Ti15 W72'
_cell_volume   1467.3
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.07  0.14  0.03  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Ti  Ti2  3  0.0  0.0  0.86  1.0
  W  W3  18  0.12  0.02  0.95  1.0
  W  W4  18  0.16  0.06  0.45  1.0
  W  W5  9  0.02  0.01  0.59  1.0
  W  W6  9  0.05  0.03  0.06  1.0
  W  W7  9  0.1  0.05  0.98  1.0
  W  W8  9  0.12  0.06  0.45  1.0

Ti Ti Ti Ti Ti W W W W W W W W W W W W W W W W W W W W W W W W
Ti5W24 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Ti5W24 clusters. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to two equivalent W(1) and two equivalent W(3) atoms. Both Ti(1)-W(1) bond lengths are 1.32 Å. Both Ti(1)-W(3) bond lengths are 1.49 Å. In the second Ti site, Ti(2) is bonded in a 13-coordinate geometry to one Ti(3), three equivalent W(2), three equivalent W(5), and six equivalent W(1) atoms. The Ti(2)-Ti(3) bond length is 1.21 Å. All Ti(2)-W(2) bond lengths are 1.58 Å. All Ti(2)-W(5) bond lengths are 2.36 Å. All Ti(2)-W(1) bond lengths are 1.76 Å. In the third Ti site, Ti(3) is bonded in a 3-coordinate geometry to one Ti(2), three equivalent W(2), and three equivalent W(3) atoms. All Ti(3)-W(2) bond lengths are 1.22 Å. All Ti(3)-W(3) bond lengths are 0.83 Å. There are six inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one Ti(1), one Ti(2), and one W(2) atom. The W(1)-W(2) bond length is 0.67 Å. In the second W site, W(2) is bonded in a 5-coordinate geometry to one Ti(2), one Ti(3), one W(3), and two equivalent W(1) atoms. The W(2)-W(3) bond length is 0.91 Å. In the third W site, W(3) is bonded in a single-bond geometry to one Ti(3), two equivalent Ti(1), and one W(2) atom. In the fourth W site, W(4) is bonded in a 2-coordinate geometry to one W(4) and one W(6) atom. The W(4)-W(4) bond length is 0.44 Å. The W(4)-W(6) bond length is 0.52 Å. In the fifth W site, W(5) is bonded in a 4-coordinate geometry to one Ti(2), one W(6), and two equivalent W(5) atoms. The W(5)-W(6) bond length is 1.71 Å. Both W(5)-W(5) bond lengths are 0.44 Å. In the sixth W site, W(6) is bonded in a 3-coordinate geometry to one W(5) and two equivalent W(4) atoms.