data_NaTeAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeAs4
_chemical_formula_sum   'Na1 Te1 As4'
_cell_volume   160.95
_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  Na4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.16  0.16  0.16  1.0
  As  As0  1  0.43  0.43  0.21  1.0
  As  As1  1  0.43  0.21  0.43  1.0
  As  As2  1  0.21  0.43  0.43  1.0
  As  As3  1  0.21  0.21  0.21  1.0

data_NaTeAs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   14.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTeAs4
_chemical_formula_sum   'Na3 Te3 As12'
_cell_volume   482.84
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.84  1.0
  As  As2  9  0.15  0.07  0.65  1.0
  As  As3  3  0.0  0.0  0.79  1.0

Na Te As As As As
NaAs4Te crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to six equivalent As(1) and one Te(1) atom. All Na(1)-As(1) bond lengths are 3.22 Å. The Na(1)-Te(1) bond length is 2.37 Å. There are two inequivalent As sites. In the first As site, As(2) is bonded in a single-bond geometry to three equivalent As(1) and one Te(1) atom. All As(2)-As(1) bond lengths are 2.32 Å. The As(2)-Te(1) bond length is 0.74 Å. In the second As site, As(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one As(2), and two equivalent As(1) atoms. Both As(1)-As(1) bond lengths are 1.34 Å. Te(1) is bonded in a linear geometry to one Na(1) and one As(2) atom.