data_SrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2
_chemical_formula_sum   'Sr4 Si8'
_cell_volume   262.02
_cell_formula_units_Z   4
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  Sr8  1  0.88  0.66  0.11  1.0
  Sr  Sr9  1  0.0  0.32  0.54  1.0
  Sr  Sr10  1  0.0  0.32  0.03  1.0
  Sr  Sr11  1  0.88  0.66  0.6  1.0
  Si  Si0  1  0.0  0.0  0.57  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.64  0.27  0.85  1.0
  Si  Si3  1  0.23  0.71  0.28  1.0
  Si  Si4  1  0.36  0.27  0.85  1.0
  Si  Si5  1  0.0  0.42  0.85  1.0
  Si  Si6  1  0.88  0.56  0.28  1.0
  Si  Si7  1  0.52  0.71  0.28  1.0

data_SrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi2
_chemical_formula_sum   'Sr4 Si8'
_cell_volume   262.02
_cell_formula_units_Z   4
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  0.32  0.03  1.0
  Sr  Sr1  1  -0.0  0.32  0.54  1.0
  Sr  Sr2  1  0.88  0.66  0.11  1.0
  Sr  Sr3  1  0.88  0.66  0.6  1.0
  Si  Si4  1  -0.0  0.42  0.85  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0
  Si  Si6  1  0.0  0.0  0.57  1.0
  Si  Si7  1  0.23  0.71  0.28  1.0
  Si  Si8  1  0.36  0.27  0.85  1.0
  Si  Si9  1  0.52  0.71  0.28  1.0
  Si  Si10  1  0.64  0.27  0.85  1.0
  Si  Si11  1  0.88  0.56  0.28  1.0

Sr Sr Sr Sr Si Si Si Si Si Si Si Si
SrSi2 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Si(2), one Si(3), one Si(4), one Si(7), and one Si(8) atom. The Sr(1)-Si(2) bond length is 2.00 Å. The Sr(1)-Si(3) bond length is 3.07 Å. The Sr(1)-Si(4) bond length is 2.47 Å. The Sr(1)-Si(7) bond length is 1.67 Å. The Sr(1)-Si(8) bond length is 2.71 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Si(1) and one Si(4) atom. The Sr(2)-Si(1) bond length is 1.87 Å. The Sr(2)-Si(4) bond length is 3.07 Å. In the third Sr site, Sr(3) is bonded in a distorted water-like geometry to one Si(2), one Si(3), one Si(4), and one Si(6) atom. The Sr(3)-Si(2) bond length is 1.87 Å. The Sr(3)-Si(3) bond length is 2.47 Å. The Sr(3)-Si(4) bond length is 3.07 Å. The Sr(3)-Si(6) bond length is 1.67 Å. In the fourth Sr site, Sr(4) is bonded in a distorted single-bond geometry to one Si(1) and one Si(3) atom. The Sr(4)-Si(1) bond length is 1.73 Å. The Sr(4)-Si(3) bond length is 3.07 Å. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a bent 150 degrees geometry to one Sr(2) and one Sr(4) atom. In the second Si site, Si(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Sr(3) atom. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Si(5), and one Si(6) atom. The Si(3)-Si(5) bond length is 1.65 Å. The Si(3)-Si(6) bond length is 1.78 Å. In the fourth Si site, Si(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Si(7), and one Si(8) atom. The Si(4)-Si(7) bond length is 1.78 Å. The Si(4)-Si(8) bond length is 1.65 Å. In the fifth Si site, Si(5) is bonded in a 1-coordinate geometry to one Si(3) atom. In the sixth Si site, Si(6) is bonded in a distorted single-bond geometry to one Sr(3) and one Si(3) atom. In the seventh Si site, Si(7) is bonded in a distorted single-bond geometry to one Sr(1) and one Si(4) atom. In the eighth Si site, Si(8) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Si(4) atom.