data_Co4BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4BTe
_chemical_formula_sum   'Co4 B1 Te1'
_cell_volume   74.81
_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
  Co  Co1  1  0.18  0.18  0.5  1.0
  Co  Co2  1  0.18  0.5  0.18  1.0
  Co  Co3  1  0.5  0.18  0.18  1.0
  Co  Co4  1  0.5  0.5  0.5  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.02  0.02  0.02  1.0

data_Co4BTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   11.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co4BTe
_chemical_formula_sum   'Co12 B3 Te3'
_cell_volume   224.43
_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
  Co  Co0  9  0.11  0.21  0.71  1.0
  Co  Co1  3  0.0  0.0  0.5  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.98  1.0

Co Co Co Co B Te
Co4BTe crystallizes in the trigonal R3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to two equivalent Co(1), three equivalent Co(2), and one B(1) atom. Both Co(1)-Co(1) bond lengths are 1.51 Å. There is one shorter (2.61 Å) and two longer (2.79 Å) Co(1)-Co(2) bond lengths. The Co(1)-B(1) bond length is 1.92 Å. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to nine equivalent Co(1) and three equivalent Te(1) atoms. All Co(2)-Te(1) bond lengths are 3.26 Å. B(1) is bonded in a single-bond geometry to three equivalent Co(1) and one Te(1) atom. The B(1)-Te(1) bond length is 0.19 Å. Te(1) is bonded in a single-bond geometry to three equivalent Co(2) and one B(1) atom.