data_CrTcTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcTe2
_chemical_formula_sum   'Cr1 Tc1 Te2'
_cell_volume   69.57
_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  0.0  0.0  0.27  1.0
  Te  Te2  1  0.63  0.63  0.95  1.0
  Te  Te3  1  0.63  0.63  0.59  1.0

data_CrTcTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrTcTe2
_chemical_formula_sum   'Cr2 Tc2 Te4'
_cell_volume   139.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.27  1.0
  Te  Te2  2  0.13  0.5  0.59  1.0
  Te  Te3  2  0.13  0.5  0.95  1.0

Cr Tc Te Te
Cr Tc Te Te 0 2 - - - 0 1 o o o 1 3 - - o 2 3 o o o 
CrTcTe2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Te(1) atoms. The Cr(1)-Tc(1) bond length is 1.76 Å. There is one shorter (1.73 Å) and two longer (2.41 Å) Cr(1)-Te(1) bond lengths. Tc(1) is bonded in a distorted single-bond geometry to one Cr(1) and three equivalent Te(2) atoms. There is one shorter (2.70 Å) and two longer (3.17 Å) Tc(1)-Te(2) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to three equivalent Cr(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.35 Å. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to three equivalent Tc(1) and one Te(1) atom.