data_CoSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi2Te
_chemical_formula_sum   'Co1 Si2 Te1'
_cell_volume   66.77
_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  Co0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.83  0.83  0.83  1.0
  Si  Si2  1  0.61  0.61  0.61  1.0
  Te  Te3  1  0.22  0.22  0.22  1.0

data_CoSi2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoSi2Te
_chemical_formula_sum   'Co3 Si6 Te3'
_cell_volume   200.31
_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  3  0.0  0.0  0.0  1.0
  Si  Si1  3  0.0  0.0  0.17  1.0
  Si  Si2  3  0.0  0.0  0.39  1.0
  Te  Te3  3  0.0  0.0  0.78  1.0

Co Si Si Te
Co Si Si Te 0 1 - - - 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o + o 1 2 + o o 1 2 o o + 1 2 o o o 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o + 2 3 o + o 2 3 + o o 
CoSi2Te crystallizes in the trigonal R3m space group. Co(1) is bonded in a distorted linear geometry to one Si(1), three equivalent Si(2), and four equivalent Te(1) atoms. The Co(1)-Si(1) bond length is 1.90 Å. All Co(1)-Si(2) bond lengths are 2.70 Å. There is one shorter (2.45 Å) and three longer (2.92 Å) Co(1)-Te(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to one Co(1), one Si(2), and three equivalent Te(1) atoms. The Si(1)-Si(2) bond length is 2.45 Å. All Si(1)-Te(1) bond lengths are 2.70 Å. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Co(1), one Si(1), and three equivalent Te(1) atoms. All Si(2)-Te(1) bond lengths are 2.70 Å. Te(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), three equivalent Si(1), and three equivalent Si(2) atoms.