data_Cu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Te
_chemical_formula_sum   'Cu4 Te2'
_cell_volume   129.36
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.18  0.26  0.29  1.0
  Cu  Cu1  1  0.0  0.51  0.23  1.0
  Cu  Cu2  1  0.18  0.26  0.65  1.0
  Cu  Cu3  1  0.0  0.51  0.59  1.0
  Te  Te4  1  0.0  0.0  0.94  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_Cu2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Te
_chemical_formula_sum   'Cu4 Te2'
_cell_volume   129.36
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.0  0.51  0.23  1.0
  Cu  Cu1  1  0.0  0.51  0.59  1.0
  Cu  Cu2  1  0.18  0.26  0.29  1.0
  Cu  Cu3  1  0.18  0.26  0.65  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.0  0.0  0.94  1.0

Cu Cu Cu Cu Te Te
Cu Cu Cu Cu Te Te 0 1 o o o 2 3 o o o 4 5 o o + 
Cu2Te crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted L-shaped geometry to three equivalent Cu(2) and one Te(2) atom. There are a spread of Cu(1)-Cu(2) bond distances ranging from 1.71-3.21 Å. The Cu(1)-Te(2) bond length is 2.49 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one Cu(4), three equivalent Cu(1), and two equivalent Te(2) atoms. The Cu(2)-Cu(4) bond length is 2.84 Å. There is one shorter (2.79 Å) and one longer (2.88 Å) Cu(2)-Te(2) bond length. In the third Cu site, Cu(3) is bonded in a distorted bent 120 degrees geometry to one Cu(4) and one Te(1) atom. The Cu(3)-Cu(4) bond length is 1.71 Å. The Cu(3)-Te(1) bond length is 2.49 Å. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one Cu(2) and one Cu(3) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one Te(2) atom. The Te(1)-Te(2) bond length is 0.47 Å. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom.