data_MnB4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB4Te
_chemical_formula_sum   'Mn1 B4 Te1'
_cell_volume   61.36
_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
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  B  B0  1  0.06  0.2  0.06  1.0
  B  B1  1  0.2  0.06  0.06  1.0
  B  B2  1  0.2  0.2  0.2  1.0
  B  B3  1  0.06  0.06  0.2  1.0
  Te  Te5  1  0.7  0.7  0.7  1.0

data_MnB4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnB4Te
_chemical_formula_sum   'Mn3 B12 Te3'
_cell_volume   184.07
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  B  B1  9  0.05  0.1  0.89  1.0
  B  B2  3  0.0  0.0  0.8  1.0
  Te  Te3  3  0.0  0.0  0.3  1.0

Mn B B B B Te
MnB4Te crystallizes in the trigonal R3m space group. Mn(1) is bonded in a 3-coordinate geometry to three equivalent B(1), three equivalent B(2), and four equivalent Te(1) atoms. All Mn(1)-B(1) bond lengths are 1.21 Å. All Mn(1)-B(2) bond lengths are 2.92 Å. There are three shorter (2.58 Å) and one longer (3.30 Å) Mn(1)-Te(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one Mn(1), one B(2), two equivalent B(1), and one Te(1) atom. The B(1)-B(2) bond length is 1.11 Å. Both B(1)-B(1) bond lengths are 0.64 Å. The B(1)-Te(1) bond length is 2.34 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent B(1) atoms. Te(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent B(1) atoms.