data_BaCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoTe2
_chemical_formula_sum   'Ba1 Co1 Te2'
_cell_volume   118.93
_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
  Ba  Ba0  1  0.77  0.77  0.05  1.0
  Co  Co1  1  0.0  0.0  0.65  1.0
  Te  Te2  1  0.77  0.77  0.48  1.0
  Te  Te3  1  0.0  0.0  0.62  1.0

data_BaCoTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCoTe2
_chemical_formula_sum   'Ba2 Co2 Te4'
_cell_volume   237.86
_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
  Ba  Ba0  2  0.27  0.5  0.05  1.0
  Co  Co1  2  0.0  0.0  0.65  1.0
  Te  Te2  2  0.0  0.0  0.62  1.0
  Te  Te3  2  0.27  0.5  0.48  1.0

Ba Co Te Te
BaCoTe2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded to four equivalent Ba(1), one Co(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing BaBa4CoTe octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-Ba(1) bond lengths are 3.53 Å. The Ba(1)-Co(1) bond length is 3.91 Å. The Ba(1)-Te(1) bond length is 4.18 Å. Co(1) is bonded in a single-bond geometry to one Ba(1) and one Te(2) atom. The Co(1)-Te(2) bond length is 0.34 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.72 Å. In the second Te site, Te(2) is bonded in a single-bond geometry to one Co(1) and one Te(1) atom.