data_SrLi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Ge
_chemical_formula_sum   'Sr1 Li2 Ge1'
_cell_volume   91.94
_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  Sr3  1  0.37  0.37  0.37  1.0
  Li  Li1  1  0.79  0.79  0.79  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.58  0.58  0.58  1.0

data_SrLi2Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLi2Ge
_chemical_formula_sum   'Sr3 Li6 Ge3'
_cell_volume   275.82
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.63  1.0
  Li  Li1  3  0.0  0.0  -0.0  1.0
  Li  Li2  3  0.0  0.0  0.21  1.0
  Ge  Ge3  3  0.0  0.0  0.42  1.0

Sr Li Li Ge
Sr Li Li Ge 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 + o + 1 2 o + + 1 2 + + o 1 2 + + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 2 3 - - o 2 3 - o - 2 3 o - - 
Li2SrGe crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2) and one Ge(1) atom. The Li(1)-Li(2) bond length is 2.59 Å. The Li(1)-Ge(1) bond length is 2.59 Å. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one Li(1), three equivalent Sr(1), and three equivalent Ge(1) atoms. All Li(2)-Sr(1) bond lengths are 2.97 Å. All Li(2)-Ge(1) bond lengths are 3.11 Å. Sr(1) is bonded in a distorted single-bond geometry to three equivalent Li(2) and one Ge(1) atom. The Sr(1)-Ge(1) bond length is 2.59 Å. Ge(1) is bonded in a distorted linear geometry to one Li(1), three equivalent Li(2), and one Sr(1) atom.