data_Sr4OsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4OsW
_chemical_formula_sum   'Sr4 Os1 W1'
_cell_volume   184.07
_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  0.39  0.39  0.64  1.0
  Sr  Sr2  1  0.39  0.64  0.39  1.0
  Sr  Sr3  1  0.64  0.39  0.39  1.0
  Sr  Sr4  1  0.64  0.64  0.64  1.0
  Os  Os0  1  0.26  0.26  0.26  1.0
  W  W5  1  0.0  0.0  0.0  1.0

data_Sr4OsW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   15.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4OsW
_chemical_formula_sum   'Sr12 Os3 W3'
_cell_volume   552.2
_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  0.08  0.17  0.53  1.0
  Sr  Sr1  3  0.0  0.0  0.36  1.0
  Os  Os2  3  0.0  0.0  0.74  1.0
  W  W3  3  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Os W
Sr Sr Sr Sr Os W 0 2 o o o 0 1 o o o 0 3 o o o 0 4 o o + 0 4 o o o 0 5 o o + 1 2 o o o 1 3 o o o 1 4 o + o 1 4 o o o 1 5 o + o 2 3 o o o 2 4 + o o 2 4 o o o 2 5 + o o 3 4 + o o 3 4 o + o 3 4 o o + 3 5 + + o 3 5 + o + 3 5 o + + 4 5 o o o 4 5 o o + 4 5 o + o 4 5 + o o 
Sr4WOs crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(1), and two equivalent Os(1) atoms. The Sr(1)-Sr(2) bond length is 2.74 Å. Both Sr(1)-Sr(1) bond lengths are 1.58 Å. The Sr(1)-W(1) bond length is 3.54 Å. There is one shorter (3.32 Å) and one longer (3.50 Å) Sr(1)-Os(1) bond length. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent W(1), and three equivalent Os(1) atoms. All Sr(2)-W(1) bond lengths are 3.71 Å. All Sr(2)-Os(1) bond lengths are 3.76 Å. W(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1) and three equivalent Sr(2) atoms. Os(1) is bonded in a 9-coordinate geometry to three equivalent Sr(2) and six equivalent Sr(1) atoms.