data_SrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   15.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB
_chemical_formula_sum   'Sr6 B6'
_cell_volume   322.14
_cell_formula_units_Z   6
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
  Sr  Sr6  1  0.0  0.0  0.91  1.0
  Sr  Sr7  1  0.0  0.0  0.9  1.0
  Sr  Sr8  1  0.43  0.4  0.21  1.0
  Sr  Sr9  1  0.43  0.4  0.33  1.0
  Sr  Sr10  1  0.0  0.8  0.48  1.0
  Sr  Sr11  1  0.0  0.8  0.59  1.0
  B  B0  1  0.0  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.04  1.0
  B  B2  1  0.43  0.4  0.0  1.0
  B  B3  1  0.43  0.4  0.47  1.0
  B  B4  1  0.0  0.8  0.34  1.0
  B  B5  1  0.0  0.8  0.8  1.0

data_SrB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   15.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB
_chemical_formula_sum   'Sr6 B6'
_cell_volume   322.14
_cell_formula_units_Z   6
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
  Sr  Sr0  1  -0.0  0.8  0.48  1.0
  Sr  Sr1  1  -0.0  0.8  0.59  1.0
  Sr  Sr2  1  0.0  0.0  0.9  1.0
  Sr  Sr3  1  0.0  0.0  0.91  1.0
  Sr  Sr4  1  0.43  0.4  0.21  1.0
  Sr  Sr5  1  0.43  0.4  0.33  1.0
  B  B6  1  -0.0  0.8  0.34  1.0
  B  B7  1  -0.0  0.8  0.8  1.0
  B  B8  1  0.0  0.0  0.04  1.0
  B  B9  1  0.0  0.0  0.77  1.0
  B  B10  1  0.43  0.4  0.0  1.0
  B  B11  1  0.43  0.4  0.47  1.0

Sr Sr Sr Sr Sr Sr B B B B B B
Sr Sr Sr Sr Sr Sr B B B B B B 0 1 o o o 0 7 o o + 0 8 o o + 1 7 o o + 1 8 o o + 2 3 o o o 3 9 o o o 3 10 + o o 3 10 o - o 4 5 o o o 4 9 o + o 4 9 - o o 4 10 o o o 6 11 o - o 7 8 o o o 
SrB crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Sr(2), one B(2), and two equivalent B(3) atoms. The Sr(1)-Sr(2) bond length is 0.12 Å. The Sr(1)-B(2) bond length is 2.06 Å. There is one shorter (2.51 Å) and one longer (3.22 Å) Sr(1)-B(3) bond length. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one Sr(1), one B(1), and one B(6) atom. The Sr(2)-B(1) bond length is 2.06 Å. The Sr(2)-B(6) bond length is 1.79 Å. In the third Sr site, Sr(3) is bonded to one Sr(4), one B(2), one B(3), and two equivalent B(5) atoms to form distorted corner-sharing SrSrB4 trigonal bipyramids. The Sr(3)-Sr(4) bond length is 1.80 Å. The Sr(3)-B(2) bond length is 3.43 Å. The Sr(3)-B(3) bond length is 3.34 Å. There is one shorter (3.19 Å) and one longer (3.28 Å) Sr(3)-B(5) bond length. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one Sr(3), one B(4), and three equivalent B(5) atoms. The Sr(4)-B(4) bond length is 2.19 Å. There are a spread of Sr(4)-B(5) bond distances ranging from 2.48-3.48 Å. In the fifth Sr site, Sr(5) is bonded in a 5-coordinate geometry to one Sr(6), one B(5), and three equivalent B(4) atoms. The Sr(5)-Sr(6) bond length is 1.80 Å. The Sr(5)-B(5) bond length is 2.19 Å. There are a spread of Sr(5)-B(4) bond distances ranging from 2.48-3.48 Å. In the sixth Sr site, Sr(6) is bonded in a 2-coordinate geometry to one Sr(5) and one B(1) atom. The Sr(6)-B(1) bond length is 2.95 Å. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(6), and one B(6) atom. The B(1)-B(6) bond length is 1.11 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one B(3) atom. The B(2)-B(3) bond length is 2.08 Å. In the third B site, B(3) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(1), and one B(2) atom. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one Sr(4) and three equivalent Sr(5) atoms. In the fifth B site, B(5) is bonded in a 3-coordinate geometry to one Sr(5), two equivalent Sr(3), and three equivalent Sr(4) atoms. In the sixth B site, B(6) is bonded in a distorted L-shaped geometry to one Sr(2) and one B(1) atom.