data_Sr2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   134.62
_cell_angle_beta   134.62
_cell_angle_gamma   66.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuSi
_chemical_formula_sum   'Sr2 Cu1 Si1'
_cell_volume   104.94
_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  0.29  0.0  0.49  1.0
  Sr  Sr3  1  0.0  0.0  0.98  1.0
  Cu  Cu0  1  0.0  0.29  0.49  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Sr2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.95
_cell_angle_alpha   112.69
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuSi
_chemical_formula_sum   'Sr2 Cu1 Si1'
_cell_volume   104.94
_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  0.49  0.2  0.2  1.0
  Sr  Sr1  1  0.98  0.98  0.98  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.2  0.49  0.2  1.0

Sr Sr Cu Si
Sr Sr Cu Si 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o + 1 2 o o + 2 3 o o o 
Sr2CuSi is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2CuSi cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Si(1) atom. The Sr(1)-Cu(1) bond length is 1.91 Å. The Sr(1)-Si(1) bond length is 2.11 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Si(1) atom. The Sr(2)-Si(1) bond length is 0.09 Å. Cu(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. Si(1) is bonded in a single-bond geometry to one Sr(1) and one Sr(2) atom.