data_SrZrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.17
_cell_angle_alpha   108.54
_cell_angle_beta   108.54
_cell_angle_gamma   44.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrSi2
_chemical_formula_sum   'Sr1 Zr1 Si2'
_cell_volume   99.3
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.5  0.0  0.9  1.0
  Si  Si0  1  0.83  0.0  0.59  1.0
  Si  Si1  1  0.18  0.0  0.21  1.0

data_SrZrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.94
_cell_length_c   6.17
_cell_angle_alpha   108.54
_cell_angle_beta   90.0
_cell_angle_gamma   112.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrSi2
_chemical_formula_sum   'Sr1 Zr1 Si2'
_cell_volume   99.3
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.5  0.1  1.0
  Si  Si2  1  0.0  0.17  0.41  1.0
  Si  Si3  1  0.0  0.82  0.79  1.0

Sr Zr Si Si
Sr Zr Si Si 0 3 o o o 0 1 o o - 0 1 - o - 0 2 - o - 1 3 o o + 1 2 o o o 
SrZrSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrZrSi2 cluster. Sr(1) is bonded in a distorted single-bond geometry to one Zr(1), one Si(1), and one Si(2) atom. The Sr(1)-Zr(1) bond length is 2.33 Å. The Sr(1)-Si(1) bond length is 2.41 Å. The Sr(1)-Si(2) bond length is 1.29 Å. Zr(1) is bonded in a 1-coordinate geometry to one Sr(1) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. In the second Si site, Si(2) is bonded in a single-bond geometry to one Sr(1) atom.