data_Sr2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BW
_chemical_formula_sum   'Sr2 B1 W1'
_cell_volume   91.42
_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  0.58  0.58  0.58  1.0
  Sr  Sr2  1  0.36  0.36  0.36  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.79  0.79  0.79  1.0

data_Sr2BW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2BW
_chemical_formula_sum   'Sr6 B3 W3'
_cell_volume   274.27
_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  0.42  1.0
  Sr  Sr1  3  0.0  0.0  0.64  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.21  1.0

Sr Sr B W
Sr Sr B W 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 - - - 2 3 - - o 2 3 o - - 2 3 - o - 
Sr2WB 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 one Sr(2), four equivalent W(1), and three equivalent B(1) atoms. The Sr(1)-Sr(2) bond length is 2.63 Å. There is one shorter (2.63 Å) and three longer (3.28 Å) Sr(1)-W(1) bond lengths. All Sr(1)-B(1) bond lengths are 3.13 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one Sr(1), three equivalent W(1), and three equivalent B(1) atoms. All Sr(2)-W(1) bond lengths are 3.13 Å. All Sr(2)-B(1) bond lengths are 2.94 Å. W(1) is bonded in a 8-coordinate geometry to three equivalent Sr(2), four equivalent Sr(1), and one B(1) atom. The W(1)-B(1) bond length is 2.63 Å. B(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and one W(1) atom.