data_Co4SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4SnTe
_chemical_formula_sum   'Co4 Sn1 Te1'
_cell_volume   89.42
_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  0.66  0.66  0.44  1.0
  Co  Co1  1  0.66  0.44  0.66  1.0
  Co  Co2  1  0.44  0.66  0.66  1.0
  Co  Co3  1  0.44  0.44  0.44  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.77  0.77  0.77  1.0

data_Co4SnTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co4SnTe
_chemical_formula_sum   'Co12 Sn3 Te3'
_cell_volume   268.26
_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  9  0.15  0.07  0.41  1.0
  Co  Co1  3  0.0  0.0  0.56  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.23  1.0

Co Co Co Co Sn Te
Co Co Co Co Sn Te 0 1 o o o 0 2 o o o 0 3 o o o 0 4 + + o 0 5 o o o 0 5 o o - 1 2 o o o 1 3 o o o 1 4 + o + 1 5 o o o 1 5 o - o 2 3 o o o 2 4 o + + 2 5 o o o 2 5 - o o 3 5 o o - 3 5 o - o 3 5 - o o 4 5 - - - 
Co4SnTe crystallizes in the trigonal R3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Co(2), two equivalent Co(1), one Sn(1), and two equivalent Te(1) atoms. The Co(1)-Co(2) bond length is 1.95 Å. Both Co(1)-Co(1) bond lengths are 1.12 Å. The Co(1)-Sn(1) bond length is 2.46 Å. There is one shorter (2.40 Å) and one longer (2.87 Å) Co(1)-Te(1) bond length. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Sn(1), and three equivalent Te(1) atoms. All Co(2)-Sn(1) bond lengths are 3.17 Å. All Co(2)-Te(1) bond lengths are 2.90 Å. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and four equivalent Te(1) atoms. There is one shorter (2.77 Å) and three longer (3.19 Å) Sn(1)-Te(1) bond lengths. Te(1) is bonded in a 13-coordinate geometry to three equivalent Co(2), six equivalent Co(1), and four equivalent Sn(1) atoms.