data_ZrZnCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCo4
_chemical_formula_sum   'Zr1 Zn1 Co4'
_cell_volume   77.69
_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
  Zr  Zr5  1  0.08  0.08  0.08  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.24  0.53  0.24  1.0
  Co  Co1  1  0.53  0.24  0.24  1.0
  Co  Co2  1  0.53  0.53  0.53  1.0
  Co  Co3  1  0.24  0.24  0.53  1.0

data_ZrZnCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrZnCo4
_chemical_formula_sum   'Zr3 Zn3 Co12'
_cell_volume   233.06
_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
  Zr  Zr0  3  0.0  0.0  0.92  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Co  Co2  9  0.1  0.2  0.66  1.0
  Co  Co3  3  0.0  0.0  0.47  1.0

Zr Zn Co Co Co Co
ZrCo4Zn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a single-bond geometry to three equivalent Co(1), three equivalent Co(2), and one Zn(1) atom. All Zr(1)-Co(1) bond lengths are 2.14 Å. All Zr(1)-Co(2) bond lengths are 3.11 Å. The Zr(1)-Zn(1) bond length is 0.94 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 15-coordinate geometry to three equivalent Zr(1), nine equivalent Co(1), and three equivalent Zn(1) atoms. There are three shorter (2.46 Å) and six longer (2.93 Å) Co(2)-Co(1) bond lengths. All Co(2)-Zn(1) bond lengths are 3.17 Å. In the second Co site, Co(1) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Co(1), three equivalent Co(2), and one Zn(1) atom. Both Co(1)-Co(1) bond lengths are 1.42 Å. The Co(1)-Zn(1) bond length is 1.95 Å. Zn(1) is bonded in a single-bond geometry to one Zr(1), three equivalent Co(1), and three equivalent Co(2) atoms.