data_GaNi4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi4Te
_chemical_formula_sum   'Ga1 Ni4 Te1'
_cell_volume   81.73
_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  Ga0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.31  0.31  0.58  1.0
  Ni  Ni2  1  0.31  0.58  0.31  1.0
  Ni  Ni3  1  0.58  0.31  0.31  1.0
  Ni  Ni4  1  0.58  0.58  0.58  1.0
  Te  Te5  1  0.17  0.17  0.17  1.0

data_GaNi4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaNi4Te
_chemical_formula_sum   'Ga3 Ni12 Te3'
_cell_volume   245.2
_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
  Ni  Ni1  9  0.09  0.18  0.6  1.0
  Ni  Ni2  3  0.0  0.0  0.42  1.0
  Te  Te3  3  0.0  0.0  0.83  1.0

Ga Ni Ni Ni Ni Te
Ga Ni Ni Ni Ni Te 0 3 - o o 0 2 o - o 0 1 o o - 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o + 2 3 o o o 2 4 o o o 2 5 o + o 3 4 o o o 3 5 + o o 
Ni4GaTe crystallizes in the trigonal R3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(1), and one Te(1) atom. The Ni(1)-Ni(2) bond length is 2.29 Å. Both Ni(1)-Ni(1) bond lengths are 1.32 Å. The Ni(1)-Ga(1) bond length is 2.19 Å. The Ni(1)-Te(1) bond length is 2.38 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent Ga(1), and three equivalent Te(1) atoms. All Ni(2)-Ga(1) bond lengths are 3.00 Å. All Ni(2)-Te(1) bond lengths are 2.97 Å. Ga(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Te(1) atom. The Ga(1)-Te(1) bond length is 1.99 Å. Te(1) is bonded in a 1-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Ga(1) atom.