data_SrGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   132.0
_cell_angle_beta   132.0
_cell_angle_gamma   70.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Si
_chemical_formula_sum   'Sr1 Ga2 Si1'
_cell_volume   90.38
_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  Sr3  1  0.0  0.0  0.5  1.0
  Ga  Ga0  1  0.0  0.24  0.25  1.0
  Ga  Ga1  1  0.24  0.0  0.25  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_SrGa2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   125.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGa2Si
_chemical_formula_sum   'Sr2 Ga4 Si2'
_cell_volume   180.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.0  0.5  1.0
  Ga  Ga1  4  0.37  0.38  0.99  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

Sr Ga Ga Si
Sr Ga Ga Si 0 1 o o o 0 3 o o o 0 3 o o + 0 2 o o o 1 3 o o o 2 3 o o o 
SrGa2Si crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 5-coordinate geometry to four equivalent Ga(1) and one Si(1) atom. There are two shorter (2.47 Å) and two longer (3.42 Å) Sr(1)-Ga(1) bond lengths. The Sr(1)-Si(1) bond length is 2.73 Å. Ga(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Si(1) atom. The Ga(1)-Si(1) bond length is 1.10 Å. Si(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Ga(1) atoms.