data_Sr4AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4AlW
_chemical_formula_sum   'Sr4 Al1 W1'
_cell_volume   215.75
_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  0.95  0.95  0.57  1.0
  Sr  Sr2  1  0.95  0.57  0.95  1.0
  Sr  Sr3  1  0.57  0.95  0.95  1.0
  Sr  Sr4  1  0.57  0.57  0.57  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W5  1  0.14  0.14  0.14  1.0

data_Sr4AlW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   16.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4AlW
_chemical_formula_sum   'Sr12 Al3 W3'
_cell_volume   647.25
_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  9  0.21  0.42  0.84  1.0
  Sr  Sr1  3  0.0  0.0  0.43  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.86  1.0

Sr Sr Sr Sr Al W
Sr4WAl crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to three equivalent Sr(2) and one W(1) atom. There are two shorter (3.68 Å) and one longer (4.35 Å) Sr(1)-Sr(2) bond length. The Sr(1)-W(1) bond length is 2.45 Å. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to nine equivalent Sr(1) and three equivalent W(1) atoms. All Sr(2)-W(1) bond lengths are 4.22 Å. W(1) is bonded to three equivalent Sr(1), three equivalent Sr(2), and one Al(1) atom to form corner-sharing WSr6Al trigonal pyramids. The W(1)-Al(1) bond length is 2.32 Å. Al(1) is bonded in a distorted single-bond geometry to one W(1) atom.