data_Sm5B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5B3
_chemical_formula_sum   'Sm10 B6'
_cell_volume   354.4
_cell_formula_units_Z   2
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
  Sm  Sm6  1  0.87  0.24  0.41  1.0
  Sm  Sm7  1  0.0  0.47  0.0  1.0
  Sm  Sm8  1  0.0  0.47  0.41  1.0
  Sm  Sm9  1  0.87  0.24  0.0  1.0
  Sm  Sm10  1  0.1  0.03  0.11  1.0
  Sm  Sm11  1  0.03  0.68  0.7  1.0
  Sm  Sm12  1  0.97  0.68  0.11  1.0
  Sm  Sm13  1  0.81  0.0  0.11  1.0
  Sm  Sm14  1  0.94  0.0  0.7  1.0
  Sm  Sm15  1  0.9  0.03  0.7  1.0
  B  B0  1  0.41  0.75  0.11  1.0
  B  B1  1  0.71  0.96  0.7  1.0
  B  B2  1  0.29  0.96  0.11  1.0
  B  B3  1  0.18  0.0  0.11  1.0
  B  B4  1  0.57  0.0  0.7  1.0
  B  B5  1  0.59  0.75  0.7  1.0

data_Sm5B3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.81
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5B3
_chemical_formula_sum   'Sm10 B6'
_cell_volume   354.4
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.0  0.0  0.47  1.0
  Sm  Sm1  1  0.0  0.87  0.24  1.0
  Sm  Sm2  1  0.11  0.1  0.03  1.0
  Sm  Sm3  1  0.11  0.81  0.0  1.0
  Sm  Sm4  1  0.11  0.97  0.68  1.0
  Sm  Sm5  1  0.41  0.0  0.47  1.0
  Sm  Sm6  1  0.41  0.87  0.24  1.0
  Sm  Sm7  1  0.7  0.03  0.68  1.0
  Sm  Sm8  1  0.7  0.9  0.03  1.0
  Sm  Sm9  1  0.7  0.94  0.0  1.0
  B  B10  1  0.11  0.18  0.0  1.0
  B  B11  1  0.11  0.29  0.96  1.0
  B  B12  1  0.11  0.41  0.75  1.0
  B  B13  1  0.7  0.57  0.0  1.0
  B  B14  1  0.7  0.59  0.75  1.0
  B  B15  1  0.7  0.71  0.96  1.0

Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm B B B B B B
Sm5B3 crystallizes in the triclinic P1 space group. There are ten inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one Sm(10), one Sm(3), one Sm(4), one Sm(8), one B(2), and one B(5) atom. The Sm(1)-Sm(10) bond length is 2.66 Å. The Sm(1)-Sm(3) bond length is 1.59 Å. The Sm(1)-Sm(4) bond length is 2.77 Å. The Sm(1)-Sm(8) bond length is 2.60 Å. The Sm(1)-B(2) bond length is 2.75 Å. The Sm(1)-B(5) bond length is 2.94 Å. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to one Sm(3), one Sm(4), one Sm(6), one Sm(7), and one B(1) atom. The Sm(2)-Sm(3) bond length is 2.77 Å. The Sm(2)-Sm(4) bond length is 1.59 Å. The Sm(2)-Sm(6) bond length is 2.52 Å. The Sm(2)-Sm(7) bond length is 1.89 Å. The Sm(2)-B(1) bond length is 2.91 Å. In the third Sm site, Sm(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(6), one Sm(7), and one B(1) atom. The Sm(3)-Sm(6) bond length is 2.52 Å. The Sm(3)-Sm(7) bond length is 2.66 Å. The Sm(3)-B(1) bond length is 3.46 Å. In the fourth Sm site, Sm(4) is bonded in a 2-coordinate geometry to one Sm(1), one Sm(2), and one Sm(8) atom. The Sm(4)-Sm(8) bond length is 1.81 Å. In the fifth Sm site, Sm(5) is bonded in a single-bond geometry to one Sm(8) and one B(4) atom. The Sm(5)-Sm(8) bond length is 2.13 Å. The Sm(5)-B(4) bond length is 0.77 Å. In the sixth Sm site, Sm(6) is bonded in a 3-coordinate geometry to one Sm(2), one Sm(3), and one Sm(9) atom. The Sm(6)-Sm(9) bond length is 2.86 Å. In the seventh Sm site, Sm(7) is bonded in a 3-coordinate geometry to one Sm(2), one Sm(3), one B(3), and one B(4) atom. The Sm(7)-B(3) bond length is 2.31 Å. The Sm(7)-B(4) bond length is 2.17 Å. In the eighth Sm site, Sm(8) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(4), one Sm(5), one B(1), and one B(2) atom. The Sm(8)-B(1) bond length is 2.69 Å. The Sm(8)-B(2) bond length is 2.84 Å. In the ninth Sm site, Sm(9) is bonded in a single-bond geometry to one Sm(10) and one Sm(6) atom. The Sm(9)-Sm(10) bond length is 0.46 Å. In the tenth Sm site, Sm(10) is bonded in a 2-coordinate geometry to one Sm(1), one Sm(9), and one B(2) atom. The Sm(10)-B(2) bond length is 1.29 Å. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one Sm(2), one Sm(3), one Sm(8), and one B(3) atom. The B(1)-B(3) bond length is 2.25 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one Sm(1), one Sm(10), one Sm(8), one B(5), and one B(6) atom. The B(2)-B(5) bond length is 1.29 Å. The B(2)-B(6) bond length is 1.40 Å. In the third B site, B(3) is bonded in a 3-coordinate geometry to one Sm(7), one B(1), and one B(4) atom. The B(3)-B(4) bond length is 1.03 Å. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one Sm(5), one Sm(7), and one B(3) atom. In the fifth B site, B(5) is bonded in a distorted single-bond geometry to one Sm(1) and one B(2) atom. In the sixth B site, B(6) is bonded in a single-bond geometry to one B(2) atom.