data_CaCo4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo4Te
_chemical_formula_sum   'Ca1 Co4 Te1'
_cell_volume   92.29
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.49  0.49  0.69  1.0
  Co  Co2  1  0.49  0.69  0.49  1.0
  Co  Co3  1  0.69  0.49  0.49  1.0
  Co  Co4  1  0.69  0.69  0.69  1.0
  Te  Te5  1  0.38  0.38  0.38  1.0

data_CaCo4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaCo4Te
_chemical_formula_sum   'Ca3 Co12 Te3'
_cell_volume   276.86
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Co  Co1  9  0.07  0.14  0.45  1.0
  Co  Co2  3  0.0  0.0  0.31  1.0
  Te  Te3  3  0.0  0.0  0.62  1.0

Ca Co Co Co Co Te
CaCo4Te crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 15-coordinate geometry to three equivalent Co(2), nine equivalent Co(1), and three equivalent Te(1) atoms. All Ca(1)-Co(2) bond lengths are 2.94 Å. There are six shorter (3.03 Å) and three longer (3.59 Å) Ca(1)-Co(1) bond lengths. All Ca(1)-Te(1) bond lengths are 2.99 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to three equivalent Ca(1), one Co(2), two equivalent Co(1), and two equivalent Te(1) atoms. The Co(1)-Co(2) bond length is 1.79 Å. Both Co(1)-Co(1) bond lengths are 1.03 Å. There is one shorter (2.23 Å) and one longer (3.07 Å) Co(1)-Te(1) bond length. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Co(1), and three equivalent Te(1) atoms. All Co(2)-Te(1) bond lengths are 2.94 Å. Te(1) is bonded to three equivalent Ca(1), three equivalent Co(2), and six equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing TeCa3Co9 cuboctahedra.