data_Na4BeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4BeTe
_chemical_formula_sum   'Na4 Be1 Te1'
_cell_volume   165.15
_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  0.45  0.45  0.26  1.0
  Na  Na2  1  0.45  0.26  0.45  1.0
  Na  Na3  1  0.26  0.45  0.45  1.0
  Na  Na4  1  0.26  0.26  0.26  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.53  0.53  0.53  1.0

data_Na4BeTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   15.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na4BeTe
_chemical_formula_sum   'Na12 Be3 Te3'
_cell_volume   495.46
_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  9  0.13  0.06  0.61  1.0
  Na  Na1  3  0.0  0.0  0.74  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.47  1.0

Na Na Na Na Be Te
Na4BeTe crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Be(1), and one Te(1) atom. The Na(1)-Na(2) bond length is 2.07 Å. Both Na(1)-Na(1) bond lengths are 1.20 Å. Both Na(1)-Be(1) bond lengths are 3.36 Å. The Na(1)-Te(1) bond length is 2.29 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Te(1) atoms. All Na(2)-Te(1) bond lengths are 3.66 Å. Be(1) is bonded in a 6-coordinate geometry to six equivalent Na(1) atoms. Te(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Na(2) atoms.