data_Ho3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Si
_chemical_formula_sum   'Ho3 Si1'
_cell_volume   98.32
_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  0.83  0.83  0.83  1.0
  Ho  Ho1  1  0.66  0.66  0.66  1.0
  Ho  Ho2  1  0.49  0.49  0.49  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Ho3Si
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho3Si
_chemical_formula_sum   'Ho9 Si3'
_cell_volume   294.95
_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  0.17  1.0
  Ho  Ho1  3  0.0  0.0  0.34  1.0
  Ho  Ho2  3  0.0  0.0  0.51  1.0
  Si  Si3  3  0.0  0.0  0.0  1.0

Ho Ho Ho Si
Ho3Si crystallizes in the trigonal R3m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 1-coordinate geometry to one Ho(2), three equivalent Ho(3), and one Si(1) atom. The Ho(1)-Ho(2) bond length is 2.14 Å. All Ho(1)-Ho(3) bond lengths are 2.99 Å. The Ho(1)-Si(1) bond length is 2.14 Å. In the second Ho site, Ho(2) is bonded to one Ho(1), one Ho(3), and three equivalent Si(1) atoms to form corner-sharing HoHo2Si3 trigonal bipyramids. The Ho(2)-Ho(3) bond length is 2.14 Å. All Ho(2)-Si(1) bond lengths are 2.99 Å. In the third Ho site, Ho(3) is bonded in a 7-coordinate geometry to one Ho(2), three equivalent Ho(1), and three equivalent Si(1) atoms. All Ho(3)-Si(1) bond lengths are 3.63 Å. Si(1) is bonded in a 1-coordinate geometry to one Ho(1), three equivalent Ho(2), and three equivalent Ho(3) atoms.