data_BeSb3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb3Te
_chemical_formula_sum   'Be1 Sb3 Te1'
_cell_volume   124.31
_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  Be4  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.5  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.5  1.0
  Sb  Sb2  1  0.5  0.0  0.0  1.0
  Te  Te3  1  0.5  0.5  0.5  1.0

data_BeSb3Te
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   BeSb3Te
_chemical_formula_sum   'Be1 Sb3 Te1'
_cell_volume   124.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.5  1.0
  Te  Te2  1  0.5  0.5  0.5  1.0

Be Sb Sb Sb Te
BeSb3Te is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to six equivalent Sb(1) atoms to form BeSb6 octahedra that share corners with six equivalent Be(1)Sb6 octahedra and faces with eight equivalent Te(1)Sb12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.47 Å) and three longer (2.52 Å) Be(1)-Sb(1) bond lengths. Sb(1) is bonded in a linear geometry to two equivalent Be(1) and four equivalent Te(1) atoms. There are a spread of Sb(1)-Te(1) bond distances ranging from 3.50-3.56 Å. Te(1) is bonded to twelve equivalent Sb(1) atoms to form distorted TeSb12 cuboctahedra that share corners with twelve equivalent Te(1)Sb12 cuboctahedra, faces with six equivalent Te(1)Sb12 cuboctahedra, and faces with eight equivalent Be(1)Sb6 octahedra.