data_YZnCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnCo4
_chemical_formula_sum   'Y1 Zn1 Co4'
_cell_volume   83.63
_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
  Y  Y4  1  0.21  0.21  0.21  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.35  0.35  0.6  1.0
  Co  Co1  1  0.35  0.6  0.35  1.0
  Co  Co2  1  0.6  0.35  0.35  1.0
  Co  Co3  1  0.6  0.6  0.6  1.0

data_YZnCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZnCo4
_chemical_formula_sum   'Y3 Zn3 Co12'
_cell_volume   250.89
_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
  Y  Y0  3  0.0  0.0  0.79  1.0
  Zn  Zn1  3  0.0  0.0  -0.0  1.0
  Co  Co2  9  0.08  0.17  0.57  1.0
  Co  Co3  3  0.0  0.0  0.4  1.0

Y Zn Co Co Co Co
YCo4Zn crystallizes in the trigonal R3m space group. Y(1) is bonded in a 13-coordinate geometry to three equivalent Co(2), six equivalent Co(1), and four equivalent Zn(1) atoms. All Y(1)-Co(2) bond lengths are 2.91 Å. There are three shorter (2.51 Å) and three longer (2.77 Å) Y(1)-Co(1) bond lengths. There is one shorter (2.48 Å) and three longer (3.22 Å) Y(1)-Zn(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Zn(1) atoms. All Co(2)-Co(1) bond lengths are 2.12 Å. All Co(2)-Zn(1) bond lengths are 2.96 Å. In the second Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Co(2), two equivalent Co(1), and one Zn(1) atom. Both Co(1)-Co(1) bond lengths are 1.22 Å. The Co(1)-Zn(1) bond length is 2.42 Å. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms.