data_SrNbGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbGe2
_chemical_formula_sum   'Sr1 Nb1 Ge2'
_cell_volume   85.62
_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  0.5  0.5  0.5  1.0
  Nb  Nb2  1  0.25  0.25  0.25  1.0
  Ge  Ge0  1  0.75  0.75  0.75  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_SrNbGe2
_symmetry_space_group_name_H-M   F-43m
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   216
_chemical_formula_structural   SrNbGe2
_chemical_formula_sum   'Sr4 Nb4 Ge8'
_cell_volume   342.46
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'y, -x, -z'
  3  '-x, -y, z'
  4  '-y, x, -z'
  5  'x, -y, -z'
  6  'y, x, z'
  7  '-x, y, -z'
  8  '-y, -x, z'
  9  'z, x, y'
  10  '-z, y, -x'
  11  'z, -x, -y'
  12  '-z, -y, x'
  13  '-z, x, -y'
  14  'z, y, x'
  15  '-z, -x, y'
  16  'z, -y, -x'
  17  'y, z, x'
  18  '-x, -z, y'
  19  '-y, z, -x'
  20  'x, -z, -y'
  21  '-y, -z, x'
  22  'x, z, y'
  23  'y, -z, -x'
  24  '-x, z, -y'
  25  'x+1/2, y+1/2, z'
  26  'y+1/2, -x+1/2, -z'
  27  '-x+1/2, -y+1/2, z'
  28  '-y+1/2, x+1/2, -z'
  29  'x+1/2, -y+1/2, -z'
  30  'y+1/2, x+1/2, z'
  31  '-x+1/2, y+1/2, -z'
  32  '-y+1/2, -x+1/2, z'
  33  'z+1/2, x+1/2, y'
  34  '-z+1/2, y+1/2, -x'
  35  'z+1/2, -x+1/2, -y'
  36  '-z+1/2, -y+1/2, x'
  37  '-z+1/2, x+1/2, -y'
  38  'z+1/2, y+1/2, x'
  39  '-z+1/2, -x+1/2, y'
  40  'z+1/2, -y+1/2, -x'
  41  'y+1/2, z+1/2, x'
  42  '-x+1/2, -z+1/2, y'
  43  '-y+1/2, z+1/2, -x'
  44  'x+1/2, -z+1/2, -y'
  45  '-y+1/2, -z+1/2, x'
  46  'x+1/2, z+1/2, y'
  47  'y+1/2, -z+1/2, -x'
  48  '-x+1/2, z+1/2, -y'
  49  'x+1/2, y, z+1/2'
  50  'y+1/2, -x, -z+1/2'
  51  '-x+1/2, -y, z+1/2'
  52  '-y+1/2, x, -z+1/2'
  53  'x+1/2, -y, -z+1/2'
  54  'y+1/2, x, z+1/2'
  55  '-x+1/2, y, -z+1/2'
  56  '-y+1/2, -x, z+1/2'
  57  'z+1/2, x, y+1/2'
  58  '-z+1/2, y, -x+1/2'
  59  'z+1/2, -x, -y+1/2'
  60  '-z+1/2, -y, x+1/2'
  61  '-z+1/2, x, -y+1/2'
  62  'z+1/2, y, x+1/2'
  63  '-z+1/2, -x, y+1/2'
  64  'z+1/2, -y, -x+1/2'
  65  'y+1/2, z, x+1/2'
  66  '-x+1/2, -z, y+1/2'
  67  '-y+1/2, z, -x+1/2'
  68  'x+1/2, -z, -y+1/2'
  69  '-y+1/2, -z, x+1/2'
  70  'x+1/2, z, y+1/2'
  71  'y+1/2, -z, -x+1/2'
  72  '-x+1/2, z, -y+1/2'
  73  'x, y+1/2, z+1/2'
  74  'y, -x+1/2, -z+1/2'
  75  '-x, -y+1/2, z+1/2'
  76  '-y, x+1/2, -z+1/2'
  77  'x, -y+1/2, -z+1/2'
  78  'y, x+1/2, z+1/2'
  79  '-x, y+1/2, -z+1/2'
  80  '-y, -x+1/2, z+1/2'
  81  'z, x+1/2, y+1/2'
  82  '-z, y+1/2, -x+1/2'
  83  'z, -x+1/2, -y+1/2'
  84  '-z, -y+1/2, x+1/2'
  85  '-z, x+1/2, -y+1/2'
  86  'z, y+1/2, x+1/2'
  87  '-z, -x+1/2, y+1/2'
  88  'z, -y+1/2, -x+1/2'
  89  'y, z+1/2, x+1/2'
  90  '-x, -z+1/2, y+1/2'
  91  '-y, z+1/2, -x+1/2'
  92  'x, -z+1/2, -y+1/2'
  93  '-y, -z+1/2, x+1/2'
  94  'x, z+1/2, y+1/2'
  95  'y, -z+1/2, -x+1/2'
  96  '-x, z+1/2, -y+1/2'
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  4  0.25  0.25  0.75  1.0
  Nb  Nb1  4  0.0  0.0  0.0  1.0
  Ge  Ge2  4  0.0  0.0  0.5  1.0
  Ge  Ge3  4  0.25  0.25  0.25  1.0

Sr Nb Ge Ge
SrNbGe2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1), four equivalent Ge(1), and six equivalent Ge(2) atoms. There are three shorter (3.03 Å) and one longer (3.04 Å) Sr(1)-Nb(1) bond length. There are three shorter (3.03 Å) and one longer (3.04 Å) Sr(1)-Ge(1) bond length. There are three shorter (3.49 Å) and three longer (3.51 Å) Sr(1)-Ge(2) bond lengths. Nb(1) is bonded in a body-centered cubic geometry to four equivalent Sr(1) and four equivalent Ge(2) atoms. There is one shorter (3.00 Å) and three longer (3.04 Å) Nb(1)-Ge(2) bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Sr(1) and four equivalent Ge(2) atoms to form GeSr4Ge4 tetrahedra that share corners with twelve equivalent Ge(2)Sr6Nb4Ge4 tetrahedra, edges with twelve equivalent Ge(1)Sr4Ge4 tetrahedra, and faces with four equivalent Ge(2)Sr6Nb4Ge4 tetrahedra. There are three shorter (3.03 Å) and one longer (3.04 Å) Ge(1)-Ge(2) bond length. In the second Ge site, Ge(2) is bonded to six equivalent Sr(1), four equivalent Nb(1), and four equivalent Ge(1) atoms to form distorted GeSr6Nb4Ge4 tetrahedra that share corners with six equivalent Ge(2)Sr6Nb4Ge4 tetrahedra, corners with twelve equivalent Ge(1)Sr4Ge4 tetrahedra, faces with four equivalent Ge(1)Sr4Ge4 tetrahedra, and faces with twelve equivalent Ge(2)Sr6Nb4Ge4 tetrahedra.