data_Be2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeCl
_chemical_formula_sum   'Be2 Te1 Cl1'
_cell_volume   68.69
_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
  Be  Be0  1  0.63  0.63  0.63  1.0
  Be  Be1  1  0.88  0.88  0.88  1.0
  Te  Te3  1  0.25  0.25  0.25  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2TeCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2TeCl
_chemical_formula_sum   'Be6 Te3 Cl3'
_cell_volume   206.06
_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
  Be  Be0  3  0.0  0.0  0.12  1.0
  Be  Be1  3  0.0  0.0  0.37  1.0
  Te  Te2  3  0.0  0.0  0.75  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Be Be Te Cl
Be Be Te Cl 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 3 + + + 1 2 + + o 1 2 + o + 1 2 o + + 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
Be2TeCl crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted hexagonal planar geometry to three equivalent Te(1) and three equivalent Cl(1) atoms. All Be(1)-Te(1) bond lengths are 2.69 Å. All Be(1)-Cl(1) bond lengths are 2.69 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to three equivalent Te(1) and one Cl(1) atom. All Be(2)-Te(1) bond lengths are 2.69 Å. The Be(2)-Cl(1) bond length is 1.40 Å. Te(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and four equivalent Cl(1) atoms. There are three shorter (2.81 Å) and one longer (2.82 Å) Te(1)-Cl(1) bond length. Cl(1) is bonded in a single-bond geometry to one Be(2), three equivalent Be(1), and four equivalent Te(1) atoms.