data_CaCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2Te
_chemical_formula_sum   'Ca1 Cu2 Te1'
_cell_volume   83.96
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.48  0.48  0.48  1.0
  Cu  Cu2  1  0.74  0.74  0.74  1.0
  Te  Te3  1  0.21  0.21  0.21  1.0

data_CaCu2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaCu2Te
_chemical_formula_sum   'Ca3 Cu6 Te3'
_cell_volume   251.89
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  3  0.0  0.0  0.26  1.0
  Cu  Cu2  3  0.0  0.0  0.52  1.0
  Te  Te3  3  0.0  0.0  0.79  1.0

Ca Cu Cu Te
CaCu2Te crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 1-coordinate geometry to four equivalent Cu(2), six equivalent Cu(1), and one Te(1) atom. There are three shorter (2.96 Å) and one longer (3.16 Å) Ca(1)-Cu(2) bond length. There are three shorter (3.31 Å) and three longer (3.65 Å) Ca(1)-Cu(1) bond lengths. The Ca(1)-Te(1) bond length is 2.57 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to six equivalent Ca(1), four equivalent Cu(2), and four equivalent Te(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Cu(1)-Cu(2) bond length. There are three shorter (2.96 Å) and one longer (3.16 Å) Cu(1)-Te(1) bond length. In the second Cu site, Cu(2) is bonded to four equivalent Ca(1) and four equivalent Cu(1) atoms to form distorted edge-sharing CuCa4Cu4 tetrahedra. Te(1) is bonded in a 1-coordinate geometry to one Ca(1) and four equivalent Cu(1) atoms.