data_CoBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBTe2
_chemical_formula_sum   'Co1 B1 Te2'
_cell_volume   69.21
_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  0.0  0.0  0.37  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.6  0.6  0.01  1.0
  Te  Te3  1  0.6  0.6  0.72  1.0

data_CoBTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoBTe2
_chemical_formula_sum   'Co2 B2 Te4'
_cell_volume   138.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Co0  2  0.0  0.0  0.37  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.1  0.5  0.01  1.0
  Te  Te3  2  0.1  0.5  0.72  1.0

Co B Te Te
CoBTe2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 2-coordinate geometry to one B(1) and one Te(2) atom. The Co(1)-B(1) bond length is 2.46 Å. The Co(1)-Te(2) bond length is 3.00 Å. B(1) is bonded in a 1-coordinate geometry to one Co(1) and three equivalent Te(1) atoms. There is one shorter (1.80 Å) and two longer (2.32 Å) B(1)-Te(1) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to three equivalent B(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.94 Å. In the second Te site, Te(2) is bonded in a 2-coordinate geometry to one Co(1) and one Te(1) atom.