data_SrTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Ge
_chemical_formula_sum   'Sr1 Ti2 Ge1'
_cell_volume   92.5
_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  Sr1  1  0.0  0.0  0.53  1.0
  Ti  Ti2  1  0.81  0.81  0.03  1.0
  Ti  Ti3  1  0.81  0.81  0.04  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_SrTi2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTi2Ge
_chemical_formula_sum   'Sr2 Ti4 Ge2'
_cell_volume   185.01
_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  0.0  0.0  0.53  1.0
  Ti  Ti1  2  0.31  0.5  0.03  1.0
  Ti  Ti2  2  0.31  0.5  0.04  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Sr Ti Ti Ge
SrTi2Ge crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), one Ti(1), one Ti(2), and two equivalent Ge(1) atoms. All Sr(1)-Sr(1) bond lengths are 3.62 Å. The Sr(1)-Ti(1) bond length is 3.61 Å. The Sr(1)-Ti(2) bond length is 3.61 Å. There is one shorter (3.30 Å) and one longer (3.77 Å) Sr(1)-Ge(1) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted water-like geometry to one Sr(1), one Ti(2), and one Ge(1) atom. The Ti(1)-Ti(2) bond length is 0.11 Å. The Ti(1)-Ge(1) bond length is 0.99 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Sr(1) and one Ti(1) atom. Ge(1) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one Ti(1) atom.