data_CuTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   119.62
_cell_angle_beta   119.62
_cell_angle_gamma   90.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTe2As
_chemical_formula_sum   'Cu1 Te2 As1'
_cell_volume   88.19
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.51  0.0  0.75  1.0
  Te  Te3  1  0.0  0.51  0.75  1.0
  As  As0  1  0.0  0.0  0.51  1.0

data_CuTe2As
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   4.99
_cell_length_b   7.09
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CuTe2As
_chemical_formula_sum   'Cu2 Te4 As2'
_cell_volume   176.39
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.0  1.0
  Te  Te1  4  0.0  0.25  0.25  1.0
  As  As2  2  0.0  0.5  0.5  1.0

Cu Te Te As
Cu Te Te As 0 1 - o - 0 2 o - - 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
CuAsTe2 crystallizes in the monoclinic Cm space group. Cu(1) is bonded in a see-saw-like geometry to two equivalent As(1) and two equivalent Te(1) atoms. There is one shorter (2.46 Å) and one longer (2.52 Å) Cu(1)-As(1) bond length. Both Cu(1)-Te(1) bond lengths are 2.13 Å. As(1) is bonded in a see-saw-like geometry to two equivalent Cu(1) and two equivalent Te(1) atoms. Both As(1)-Te(1) bond lengths are 2.20 Å. Te(1) is bonded in a linear geometry to one Cu(1) and one As(1) atom.