data_NaFeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeTe
_chemical_formula_sum   'Na1 Fe1 Te1'
_cell_volume   72.57
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.31  0.31  0.31  1.0
  Te  Te2  1  0.97  0.97  0.97  1.0

data_NaFeTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaFeTe
_chemical_formula_sum   'Na3 Fe3 Te3'
_cell_volume   217.72
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.69  1.0
  Te  Te2  3  0.0  0.0  0.03  1.0

Na Fe Te
Na Fe Te 0 2 - - - 0 1 o o - 0 1 o - o 0 1 - o o 1 2 - - o 1 2 - o - 1 2 o - - 
NaFeTe crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to four equivalent Fe(1) and one Te(1) atom. There are three shorter (2.72 Å) and one longer (3.56 Å) Na(1)-Fe(1) bond length. The Na(1)-Te(1) bond length is 0.39 Å. Fe(1) is bonded to four equivalent Na(1) and three equivalent Te(1) atoms to form a mixture of edge and corner-sharing FeNa4Te3 hexagonal pyramids. All Fe(1)-Te(1) bond lengths are 2.71 Å. Te(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Fe(1) atoms.