data_CrTc4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc4Te
_chemical_formula_sum   'Cr1 Tc4 Te1'
_cell_volume   97.34
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.56  0.56  0.74  1.0
  Tc  Tc2  1  0.56  0.74  0.56  1.0
  Tc  Tc3  1  0.74  0.56  0.56  1.0
  Tc  Tc4  1  0.74  0.74  0.74  1.0
  Te  Te5  1  0.48  0.48  0.48  1.0

data_CrTc4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrTc4Te
_chemical_formula_sum   'Cr3 Tc12 Te3'
_cell_volume   292.02
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  9  0.06  0.94  0.38  1.0
  Tc  Tc2  3  0.0  0.0  0.26  1.0
  Te  Te3  3  0.0  0.0  0.52  1.0

Cr Tc Tc Tc Tc Te
CrTc4Te crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 13-coordinate geometry to four equivalent Tc(2), six equivalent Tc(1), and three equivalent Te(1) atoms. There are three shorter (3.11 Å) and one longer (3.32 Å) Cr(1)-Tc(2) bond length. All Cr(1)-Tc(1) bond lengths are 2.82 Å. All Cr(1)-Te(1) bond lengths are 3.49 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1), one Tc(2), two equivalent Tc(1), and one Te(1) atom. The Tc(1)-Tc(2) bond length is 1.55 Å. Both Tc(1)-Tc(1) bond lengths are 0.89 Å. The Tc(1)-Te(1) bond length is 1.91 Å. In the second Tc site, Tc(2) is bonded in a 10-coordinate geometry to four equivalent Cr(1), three equivalent Tc(1), and three equivalent Te(1) atoms. All Tc(2)-Te(1) bond lengths are 3.12 Å. Te(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1), three equivalent Tc(1), and three equivalent Tc(2) atoms.