data_SrGaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaOs
_chemical_formula_sum   'Sr1 Ga1 Os1'
_cell_volume   82.9
_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  Sr2  1  0.73  0.73  0.73  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.46  0.46  0.46  1.0

data_SrGaOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrGaOs
_chemical_formula_sum   'Sr3 Ga3 Os3'
_cell_volume   248.7
_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  0.27  1.0
  Ga  Ga1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.54  1.0

Sr Ga Os
Sr Ga Os 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 2 - o o 1 2 o - o 1 2 o o - 
SrOsGa is half-Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent Os(1) and four equivalent Ga(1) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) Sr(1)-Os(1) bond length. There are three shorter (2.93 Å) and one longer (3.23 Å) Sr(1)-Ga(1) bond length. Os(1) is bonded in a 7-coordinate geometry to four equivalent Sr(1) and three equivalent Ga(1) atoms. All Os(1)-Ga(1) bond lengths are 3.21 Å. Ga(1) is bonded in a 7-coordinate geometry to four equivalent Sr(1) and three equivalent Os(1) atoms.