data_SrNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Te
_chemical_formula_sum   'Sr1 Ni2 Te1'
_cell_volume   75.61
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.03  0.03  0.03  1.0
  Ni  Ni1  1  0.68  0.68  0.68  1.0
  Te  Te3  1  0.36  0.36  0.36  1.0

data_SrNi2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   11.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrNi2Te
_chemical_formula_sum   'Sr3 Ni6 Te3'
_cell_volume   226.84
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  3  0.0  0.0  0.32  1.0
  Ni  Ni2  3  0.0  0.0  0.97  1.0
  Te  Te3  3  0.0  0.0  0.64  1.0

Sr Ni Ni Te
Sr Ni Ni Te 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
SrNi2Te crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to one Ni(1), four equivalent Ni(2), and three equivalent Te(1) atoms. The Sr(1)-Ni(1) bond length is 0.40 Å. There are three shorter (2.74 Å) and one longer (3.74 Å) Sr(1)-Ni(2) bond length. All Sr(1)-Te(1) bond lengths are 2.75 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Sr(1) and three equivalent Te(1) atoms. All Ni(1)-Te(1) bond lengths are 2.74 Å. In the second Ni site, Ni(2) is bonded to four equivalent Sr(1) and three equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing NiSr4Te3 hexagonal pyramids. All Ni(2)-Te(1) bond lengths are 2.74 Å. Te(1) is bonded in a distorted q6 geometry to three equivalent Sr(1), three equivalent Ni(1), and three equivalent Ni(2) atoms.