data_DySn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DySn2B
_chemical_formula_sum   'Dy1 Sn2 B1'
_cell_volume   92.99
_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
  Dy  Dy1  1  0.6  0.6  0.6  1.0
  Sn  Sn2  1  0.8  0.8  0.8  1.0
  Sn  Sn3  1  0.39  0.39  0.39  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_DySn2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   DySn2B
_chemical_formula_sum   'Dy3 Sn6 B3'
_cell_volume   278.97
_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
  Dy  Dy0  3  0.0  0.0  0.4  1.0
  Sn  Sn1  3  0.0  0.0  0.2  1.0
  Sn  Sn2  3  0.0  0.0  0.61  1.0
  B  B3  3  0.0  0.0  0.0  1.0

Dy Sn Sn B
Dy Sn Sn B 0 2 o o o 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 o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 + + + 1 3 + + o 1 3 o + + 1 3 + o + 2 3 o o + 2 3 o + o 2 3 + o o 
DyBSn2 crystallizes in the trigonal R3m space group. Dy(1) is bonded in a 2-coordinate geometry to three equivalent B(1), one Sn(1), and one Sn(2) atom. All Dy(1)-B(1) bond lengths are 3.07 Å. The Dy(1)-Sn(1) bond length is 2.52 Å. The Dy(1)-Sn(2) bond length is 2.52 Å. B(1) is bonded to three equivalent Dy(1) and one Sn(1) atom to form distorted corner-sharing BDy3Sn tetrahedra. The B(1)-Sn(1) bond length is 2.52 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Dy(1) and one B(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Dy(1) atom.