data_Sr4NiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4NiTe
_chemical_formula_sum   'Sr4 Ni1 Te1'
_cell_volume   253.28
_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  Sr1  1  0.28  0.28  0.77  1.0
  Sr  Sr2  1  0.28  0.77  0.28  1.0
  Sr  Sr3  1  0.77  0.28  0.28  1.0
  Sr  Sr4  1  0.77  0.77  0.77  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.53  0.53  0.53  1.0

data_Sr4NiTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   17.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4NiTe
_chemical_formula_sum   'Sr12 Ni3 Te3'
_cell_volume   759.84
_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  9  0.01  0.5  0.23  1.0
  Sr  Sr1  3  0.0  0.0  0.23  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.47  1.0

Sr Sr Sr Sr Ni Te
Sr4NiTe crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a linear geometry to two equivalent Sr(2), one Ni(1), and one Te(1) atom. Both Sr(1)-Sr(2) bond lengths are 3.55 Å. The Sr(1)-Ni(1) bond length is 2.81 Å. The Sr(1)-Te(1) bond length is 2.56 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to six equivalent Sr(1) and one Te(1) atom. The Sr(2)-Te(1) bond length is 4.05 Å. Ni(1) is bonded in a 3-coordinate geometry to three equivalent Sr(1) atoms. Te(1) is bonded in a 3-coordinate geometry to one Sr(2) and three equivalent Sr(1) atoms.