data_HoScOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoScOs2
_chemical_formula_sum   'Ho1 Sc1 Os2'
_cell_volume   71.22
_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
  Ho  Ho0  1  0.29  0.29  0.29  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.64  0.64  0.64  1.0
  Os  Os2  1  0.93  0.93  0.93  1.0

data_HoScOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HoScOs2
_chemical_formula_sum   'Ho3 Sc3 Os6'
_cell_volume   213.65
_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
  Ho  Ho0  3  0.0  0.0  0.71  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.07  1.0
  Os  Os3  3  0.0  0.0  0.36  1.0

Ho Sc Os Os
HoScOs2 crystallizes in the trigonal R3m space group. Ho(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), three equivalent Os(2), and four equivalent Os(1) atoms. There are three shorter (2.73 Å) and one longer (3.30 Å) Ho(1)-Sc(1) bond length. All Ho(1)-Os(2) bond lengths are 2.70 Å. There are three shorter (2.70 Å) and one longer (4.05 Å) Ho(1)-Os(1) bond length. Sc(1) is bonded in a single-bond geometry to four equivalent Ho(1), one Os(2), and three equivalent Os(1) atoms. The Sc(1)-Os(2) bond length is 0.74 Å. All Sc(1)-Os(1) bond lengths are 2.70 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted hexagonal planar geometry to four equivalent Ho(1) and three equivalent Sc(1) atoms. In the second Os site, Os(2) is bonded in a single-bond geometry to three equivalent Ho(1) and one Sc(1) atom.