data_ZrCo2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2Te
_chemical_formula_sum   'Zr1 Co2 Te1'
_cell_volume   66.39
_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
  Zr  Zr3  1  0.21  0.21  0.21  1.0
  Co  Co0  1  0.82  0.82  0.82  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.61  0.61  0.61  1.0

data_ZrCo2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrCo2Te
_chemical_formula_sum   'Zr3 Co6 Te3'
_cell_volume   199.16
_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
  Zr  Zr0  3  0.0  0.0  0.79  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.18  1.0
  Te  Te3  3  0.0  0.0  0.39  1.0

Zr Co Co Te
ZrCo2Te is Khatyrkite-derived structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 10-coordinate geometry to three equivalent Co(1), four equivalent Co(2), and three equivalent Te(1) atoms. All Zr(1)-Co(1) bond lengths are 2.71 Å. There is one shorter (2.38 Å) and three longer (2.94 Å) Zr(1)-Co(2) bond lengths. All Zr(1)-Te(1) bond lengths are 2.71 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to three equivalent Zr(1), one Co(2), and four equivalent Te(1) atoms. The Co(1)-Co(2) bond length is 2.00 Å. There is one shorter (2.38 Å) and three longer (2.94 Å) Co(1)-Te(1) bond lengths. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one Co(1), and three equivalent Te(1) atoms. All Co(2)-Te(1) bond lengths are 2.71 Å. Te(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Co(2), and four equivalent Co(1) atoms.