data_CrGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGeTe2
_chemical_formula_sum   'Cr1 Ge1 Te2'
_cell_volume   82.65
_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
  Ge  Ge1  1  0.0  0.0  0.82  1.0
  Te  Te2  1  0.3  0.0  0.07  1.0
  Te  Te3  1  0.3  0.0  0.58  1.0

data_CrGeTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrGeTe2
_chemical_formula_sum   'Cr1 Ge1 Te2'
_cell_volume   82.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ge  Ge1  1  0.0  0.0  0.82  1.0
  Te  Te2  1  0.3  0.0  0.07  1.0
  Te  Te3  1  0.3  0.0  0.58  1.0

Cr Ge Te Te
CrGeTe2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one CrGeTe2 cluster. Cr(1) is bonded in a distorted bent 120 degrees geometry to one Ge(1) and one Te(1) atom. The Cr(1)-Ge(1) bond length is 1.36 Å. The Cr(1)-Te(1) bond length is 1.13 Å. Ge(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Te(2) atom. The Ge(1)-Te(2) bond length is 2.13 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Ge(1) atom.