data_ZrGa4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa4Te
_chemical_formula_sum   'Zr1 Ga4 Te1'
_cell_volume   118.22
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.88  0.88  0.91  1.0
  Ga  Ga1  1  0.88  0.91  0.88  1.0
  Ga  Ga2  1  0.91  0.88  0.88  1.0
  Ga  Ga3  1  0.91  0.91  0.91  1.0
  Te  Te4  1  0.84  0.84  0.84  1.0

data_ZrGa4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrGa4Te
_chemical_formula_sum   'Zr3 Ga12 Te3'
_cell_volume   354.65
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  9  0.01  0.02  0.11  1.0
  Ga  Ga2  3  0.0  0.0  0.09  1.0
  Te  Te3  3  0.0  0.0  0.16  1.0

Zr Ga Ga Ga Ga Te
Zr Ga Ga Ga Ga Te 0 4 - - - 0 3 - - - 0 2 - - - 0 1 - - - 1 3 o o o 1 2 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 
ZrGaGa3Te is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Ga3Te clusters and three ZrGa clusters. In each Ga3Te cluster, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and one Te(1) atom. Both Ga(1)-Ga(1) bond lengths are 0.17 Å. The Ga(1)-Te(1) bond length is 0.64 Å. Te(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) atoms. In each ZrGa cluster, Zr(1) is bonded in a single-bond geometry to one Ga(2) atom. The Zr(1)-Ga(2) bond length is 1.20 Å. Ga(2) is bonded in a distorted single-bond geometry to one Zr(1) atom.