data_Zn4CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4CoB
_chemical_formula_sum   'Zn4 Co1 B1'
_cell_volume   80.66
_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
  Zn  Zn2  1  0.57  0.57  0.29  1.0
  Zn  Zn3  1  0.57  0.29  0.57  1.0
  Zn  Zn4  1  0.29  0.57  0.57  1.0
  Zn  Zn5  1  0.29  0.29  0.29  1.0
  Co  Co1  1  0.71  0.71  0.71  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Zn4CoB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4CoB
_chemical_formula_sum   'Zn12 Co3 B3'
_cell_volume   241.98
_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
  Zn  Zn0  9  0.19  0.1  0.52  1.0
  Zn  Zn1  3  0.0  0.0  0.71  1.0
  Co  Co2  3  0.0  0.0  0.29  1.0
  B  B3  3  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Co B
CoZn4B crystallizes in the trigonal R3m space group. Co(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1), three equivalent Zn(2), and three equivalent B(1) atoms. All Co(1)-Zn(1) bond lengths are 2.30 Å. All Co(1)-Zn(2) bond lengths are 3.02 Å. All Co(1)-B(1) bond lengths are 2.86 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Co(1), two equivalent Zn(1), and three equivalent Zn(2) atoms. Both Zn(1)-Zn(1) bond lengths are 1.39 Å. There is one shorter (2.41 Å) and two longer (3.01 Å) Zn(1)-Zn(2) bond lengths. In the second Zn site, Zn(2) is bonded in a 15-coordinate geometry to three equivalent Co(1), nine equivalent Zn(1), and three equivalent B(1) atoms. All Zn(2)-B(1) bond lengths are 2.86 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Zn(2) atoms.