data_TiMoWAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoWAu
_chemical_formula_sum   'Ti1 Mo1 W1 Au1'
_cell_volume   65.91
_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  0.0  1.0
  Mo  Mo1  1  0.21  0.21  0.21  1.0
  W  W3  1  0.81  0.81  0.81  1.0
  Au  Au0  1  0.6  0.6  0.6  1.0

data_TiMoWAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiMoWAu
_chemical_formula_sum   'Ti3 Mo3 W3 Au3'
_cell_volume   197.74
_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
  Mo  Mo1  3  0.0  0.0  0.79  1.0
  W  W2  3  0.0  0.0  0.19  1.0
  Au  Au3  3  0.0  0.0  0.4  1.0

Ti Mo W Au
TiWMoAu crystallizes in the trigonal R3m space group. Ti(1) is bonded in a 5-coordinate geometry to one W(1), four equivalent Mo(1), and three equivalent Au(1) atoms. The Ti(1)-W(1) bond length is 2.12 Å. There is one shorter (2.29 Å) and three longer (2.97 Å) Ti(1)-Mo(1) bond lengths. All Ti(1)-Au(1) bond lengths are 2.71 Å. W(1) is bonded in a 1-coordinate geometry to one Ti(1), three equivalent Mo(1), and one Au(1) atom. All W(1)-Mo(1) bond lengths are 2.71 Å. The W(1)-Au(1) bond length is 2.29 Å. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), three equivalent W(1), and three equivalent Au(1) atoms. All Mo(1)-Au(1) bond lengths are 2.71 Å. Au(1) is bonded in a 7-coordinate geometry to three equivalent Ti(1), one W(1), and three equivalent Mo(1) atoms.