data_GaCu4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu4Te
_chemical_formula_sum   'Ga1 Cu4 Te1'
_cell_volume   92.47
_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
  Ga  Ga4  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.69  0.69  0.49  1.0
  Cu  Cu1  1  0.69  0.49  0.69  1.0
  Cu  Cu2  1  0.49  0.69  0.69  1.0
  Cu  Cu3  1  0.49  0.49  0.49  1.0
  Te  Te5  1  0.79  0.79  0.79  1.0

data_GaCu4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCu4Te
_chemical_formula_sum   'Ga3 Cu12 Te3'
_cell_volume   277.4
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.13  0.07  0.38  1.0
  Cu  Cu2  3  0.0  0.0  0.51  1.0
  Te  Te3  3  0.0  0.0  0.21  1.0

Ga Cu Cu Cu Cu Te
Ga Cu Cu Cu Cu Te 0 5 - - - 0 1 - - o 0 2 - o - 0 3 o - - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
Cu4GaTe crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(1), one Ga(1), and one Te(1) atom. The Cu(1)-Cu(2) bond length is 1.74 Å. Both Cu(1)-Cu(1) bond lengths are 1.01 Å. The Cu(1)-Ga(1) bond length is 2.41 Å. The Cu(1)-Te(1) bond length is 2.22 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent Te(1) atoms. All Cu(2)-Te(1) bond lengths are 2.95 Å. Ga(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Cu(1) and one Te(1) atom. The Ga(1)-Te(1) bond length is 2.55 Å. Te(1) is bonded in a 7-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and one Ga(1) atom.