data_Sr2YbHo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YbHo
_chemical_formula_sum   'Sr2 Yb1 Ho1'
_cell_volume   169.76
_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
  Sr  Sr1  1  0.59  0.59  0.59  1.0
  Sr  Sr2  1  0.2  0.2  0.2  1.0
  Yb  Yb3  1  0.39  0.39  0.39  1.0
  Ho  Ho0  1  0.0  0.0  0.0  1.0

data_Sr2YbHo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   15.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2YbHo
_chemical_formula_sum   'Sr6 Yb3 Ho3'
_cell_volume   509.28
_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
  Sr  Sr0  3  0.0  0.0  0.41  1.0
  Sr  Sr1  3  0.0  0.0  0.8  1.0
  Yb  Yb2  3  0.0  0.0  0.61  1.0
  Ho  Ho3  3  0.0  0.0  0.0  1.0

Sr Sr Yb Ho
Sr2YbHo crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to three equivalent Sr(2), four equivalent Yb(1), and three equivalent Ho(1) atoms. All Sr(1)-Sr(2) bond lengths are 3.71 Å. There is one shorter (3.00 Å) and three longer (4.14 Å) Sr(1)-Yb(1) bond lengths. All Sr(1)-Ho(1) bond lengths are 3.76 Å. In the second Sr site, Sr(2) is bonded in a linear geometry to three equivalent Sr(1), one Yb(1), and one Ho(1) atom. The Sr(2)-Yb(1) bond length is 3.00 Å. The Sr(2)-Ho(1) bond length is 3.00 Å. Yb(1) is bonded in a distorted linear geometry to one Sr(2) and four equivalent Sr(1) atoms. Ho(1) is bonded in a 1-coordinate geometry to one Sr(2) and three equivalent Sr(1) atoms.