data_HoCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCuSi2
_chemical_formula_sum   'Ho1 Cu1 Si2'
_cell_volume   69.71
_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  Ho1  1  0.27  0.27  0.27  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.9  0.9  0.9  1.0
  Si  Si3  1  0.63  0.63  0.63  1.0

data_HoCuSi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HoCuSi2
_chemical_formula_sum   'Ho3 Cu3 Si6'
_cell_volume   209.14
_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  0.73  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Si  Si2  3  0.0  0.0  0.1  1.0
  Si  Si3  3  0.0  0.0  0.37  1.0

Ho Cu Si Si
Ho Cu Si Si 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 o - - 1 3 - o - 1 3 - - o 2 3 + o o 2 3 o + o 2 3 o o + 2 3 o o o 
HoCuSi2 crystallizes in the trigonal R3m space group. Ho(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1), three equivalent Si(1), and three equivalent Si(2) atoms. There are three shorter (2.77 Å) and one longer (3.02 Å) Ho(1)-Cu(1) bond length. All Ho(1)-Si(1) bond lengths are 2.69 Å. All Ho(1)-Si(2) bond lengths are 2.69 Å. Cu(1) is bonded in a distorted single-bond geometry to four equivalent Ho(1) and one Si(1) atom. The Cu(1)-Si(1) bond length is 1.13 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to three equivalent Ho(1) and one Cu(1) atom. In the second Si site, Si(2) is bonded in a distorted trigonal planar geometry to three equivalent Ho(1) atoms.