data_FeSiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   3.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiOs
_chemical_formula_sum   'Fe1 Si1 Os1'
_cell_volume   41.68
_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
  Fe  Fe0  1  0.13  0.13  0.13  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.75  0.75  0.75  1.0

data_FeSiOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeSiOs
_chemical_formula_sum   'Fe3 Si3 Os3'
_cell_volume   125.03
_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
  Fe  Fe0  3  0.0  0.0  0.87  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.25  1.0

Fe Si Os
Fe Si Os 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 1 2 - o - 1 2 o - - 1 2 - - o 1 2 - - - 
OsFeSi crystallizes in the trigonal R3m space group. Os(1) is bonded to three equivalent Fe(1) and four equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing OsFe3Si4 hexagonal pyramids. All Os(1)-Fe(1) bond lengths are 2.28 Å. There is one shorter (2.37 Å) and three longer (2.39 Å) Os(1)-Si(1) bond lengths. Fe(1) is bonded in a distorted single-bond geometry to three equivalent Os(1) and one Si(1) atom. The Fe(1)-Si(1) bond length is 1.22 Å. Si(1) is bonded in a distorted single-bond geometry to four equivalent Os(1) and one Fe(1) atom.