data_SrTiIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiIrW
_chemical_formula_sum   'Sr1 Ti1 Ir1 W1'
_cell_volume   71.93
_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
  Sr  Sr1  1  0.65  0.65  0.65  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.95  0.95  0.95  1.0
  W  W3  1  0.3  0.3  0.3  1.0

data_SrTiIrW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTiIrW
_chemical_formula_sum   'Sr3 Ti3 Ir3 W3'
_cell_volume   215.78
_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
  Sr  Sr0  3  0.0  0.0  0.35  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.05  1.0
  W  W3  3  0.0  0.0  0.7  1.0

Sr Ti Ir W
SrTiWIr crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to three equivalent Ti(1), four equivalent W(1), and four equivalent Ir(1) atoms. All Sr(1)-Ti(1) bond lengths are 2.70 Å. There are three shorter (2.70 Å) and one longer (4.00 Å) Sr(1)-W(1) bond length. There are three shorter (2.72 Å) and one longer (3.44 Å) Sr(1)-Ir(1) bond length. Ti(1) is bonded in a single-bond geometry to three equivalent Sr(1), four equivalent W(1), and one Ir(1) atom. There are three shorter (2.72 Å) and one longer (3.44 Å) Ti(1)-W(1) bond length. The Ti(1)-Ir(1) bond length is 0.56 Å. W(1) is bonded in a 11-coordinate geometry to four equivalent Sr(1), four equivalent Ti(1), and three equivalent Ir(1) atoms. All W(1)-Ir(1) bond lengths are 2.70 Å. Ir(1) is bonded in a single-bond geometry to four equivalent Sr(1), one Ti(1), and three equivalent W(1) atoms.