data_CrSi4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi4Os
_chemical_formula_sum   'Cr1 Si4 Os1'
_cell_volume   76.13
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.21  0.52  0.21  1.0
  Si  Si3  1  0.52  0.21  0.21  1.0
  Si  Si4  1  0.52  0.52  0.52  1.0
  Si  Si5  1  0.21  0.21  0.52  1.0
  Os  Os1  1  0.05  0.05  0.05  1.0

data_CrSi4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrSi4Os
_chemical_formula_sum   'Cr3 Si12 Os3'
_cell_volume   228.38
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Si  Si1  9  0.1  0.21  0.69  1.0
  Si  Si2  3  0.0  0.0  0.48  1.0
  Os  Os3  3  0.0  0.0  0.95  1.0

Cr Si Si Si Si Os
Cr Si Si Si Si Os 0 5 o o o 0 3 o - - 0 3 - o - 0 3 - - o 1 4 o o o 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 4 o o o 2 3 o o o 2 3 o o - 2 3 o - o 3 4 o o o 3 4 o + o 3 4 + o o 3 5 o o + 3 5 o + o 3 5 + o o 
CrOsSi4 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a single-bond geometry to one Os(1) and three equivalent Si(1) atoms. The Cr(1)-Os(1) bond length is 0.53 Å. All Cr(1)-Si(1) bond lengths are 1.91 Å. Os(1) is bonded in a single-bond geometry to one Cr(1) and three equivalent Si(2) atoms. All Os(1)-Si(2) bond lengths are 3.20 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Cr(1), two equivalent Si(1), and three equivalent Si(2) atoms. Both Si(1)-Si(1) bond lengths are 1.48 Å. There is one shorter (2.57 Å) and two longer (2.84 Å) Si(1)-Si(2) bond lengths. In the second Si site, Si(2) is bonded in a 12-coordinate geometry to three equivalent Os(1) and nine equivalent Si(1) atoms.