data_YbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCo2
_chemical_formula_sum   'Yb2 Co4'
_cell_volume   89.79
_cell_formula_units_Z   2
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
  Yb  Yb0  1  0.78  0.78  0.78  1.0
  Yb  Yb1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.67  0.44  0.67  1.0
  Co  Co3  1  0.67  0.67  0.44  1.0
  Co  Co4  1  0.44  0.67  0.67  1.0
  Co  Co5  1  0.44  0.44  0.44  1.0

data_YbCo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YbCo2
_chemical_formula_sum   'Yb6 Co12'
_cell_volume   269.37
_cell_formula_units_Z   6
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
  Yb  Yb0  3  0.0  0.0  -0.0  1.0
  Yb  Yb1  3  0.0  0.0  0.22  1.0
  Co  Co2  9  0.15  0.07  0.41  1.0
  Co  Co3  3  0.0  0.0  0.56  1.0

Yb Yb Co Co Co Co
Yb Yb Co Co Co Co 0 4 o o o 0 4 + o o 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o + o 0 5 o o + 0 5 o + o 0 5 + o o 0 1 + + + 1 3 - - o 1 2 - o - 1 4 o - - 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
YbCo2 crystallizes in the trigonal R3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms. All Yb(1)-Co(2) bond lengths are 2.90 Å. There are three shorter (2.38 Å) and three longer (2.90 Å) Yb(1)-Co(1) bond lengths. In the second Yb site, Yb(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) and three equivalent Co(2) atoms. All Yb(2)-Co(1) bond lengths are 2.44 Å. All Yb(2)-Co(2) bond lengths are 3.20 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Yb(2), two equivalent Yb(1), one Co(2), and two equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 1.94 Å. Both Co(1)-Co(1) bond lengths are 1.12 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and three equivalent Co(1) atoms.