data_GeTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2As
_chemical_formula_sum   'Ge1 Te2 As1'
_cell_volume   97.71
_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
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Te  Te2  1  0.77  0.77  0.41  1.0
  Te  Te3  1  0.0  0.0  0.32  1.0
  As  As0  1  0.77  0.77  0.15  1.0

data_GeTe2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeTe2As
_chemical_formula_sum   'Ge2 Te4 As2'
_cell_volume   195.42
_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
  Ge  Ge0  2  0.0  0.0  0.56  1.0
  Te  Te1  2  0.0  0.0  0.32  1.0
  Te  Te2  2  0.27  0.5  0.41  1.0
  As  As3  2  0.27  0.5  0.15  1.0

Ge Te Te As
Ge Te Te As 0 1 - - o 0 2 o o o 1 2 + + o 1 3 o o o 2 3 - - o 
GeAsTe2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two GeAsTe2 clusters. Ge(1) is bonded in a 2-coordinate geometry to one Te(1) and one Te(2) atom. The Ge(1)-Te(1) bond length is 1.67 Å. The Ge(1)-Te(2) bond length is 1.85 Å. As(1) is bonded in a 2-coordinate geometry to one Te(1) and one Te(2) atom. The As(1)-Te(1) bond length is 2.00 Å. The As(1)-Te(2) bond length is 1.78 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Ge(1), one As(1), and one Te(2) atom. The Te(1)-Te(2) bond length is 1.30 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Ge(1), one As(1), and one Te(1) atom.