data_Sr5Ge24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ge24
_chemical_formula_sum   'Sr5 Ge24'
_cell_volume   679.85
_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  Sr24  1  0.34  0.66  0.34  1.0
  Sr  Sr25  1  0.66  0.34  0.34  1.0
  Sr  Sr26  1  0.34  0.34  0.66  1.0
  Sr  Sr27  1  0.2  0.2  0.2  1.0
  Sr  Sr28  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.96  0.04  0.86  1.0
  Ge  Ge1  1  0.04  0.96  0.86  1.0
  Ge  Ge2  1  0.96  0.96  0.22  1.0
  Ge  Ge3  1  0.57  0.57  0.68  1.0
  Ge  Ge4  1  0.96  0.22  0.96  1.0
  Ge  Ge5  1  0.57  0.68  0.57  1.0
  Ge  Ge6  1  0.04  0.86  0.96  1.0
  Ge  Ge7  1  0.96  0.86  0.04  1.0
  Ge  Ge8  1  0.86  0.04  0.96  1.0
  Ge  Ge9  1  0.86  0.96  0.04  1.0
  Ge  Ge10  1  0.68  0.57  0.57  1.0
  Ge  Ge11  1  0.22  0.96  0.96  1.0
  Ge  Ge12  1  0.66  0.34  0.37  1.0
  Ge  Ge13  1  0.34  0.66  0.37  1.0
  Ge  Ge14  1  0.2  0.2  0.17  1.0
  Ge  Ge15  1  0.34  0.34  0.7  1.0
  Ge  Ge16  1  0.2  0.17  0.2  1.0
  Ge  Ge17  1  0.34  0.7  0.34  1.0
  Ge  Ge18  1  0.34  0.37  0.66  1.0
  Ge  Ge19  1  0.66  0.37  0.34  1.0
  Ge  Ge20  1  0.37  0.34  0.66  1.0
  Ge  Ge21  1  0.37  0.66  0.34  1.0
  Ge  Ge22  1  0.7  0.34  0.34  1.0
  Ge  Ge23  1  0.17  0.2  0.2  1.0

data_Sr5Ge24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.67
_cell_length_b   15.67
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr5Ge24
_chemical_formula_sum   'Sr15 Ge72'
_cell_volume   2039.56
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.22  0.11  0.45  1.0
  Sr  Sr1  3  0.0  0.0  0.0  1.0
  Sr  Sr2  3  0.0  0.0  0.2  1.0
  Ge  Ge3  18  0.01  0.1  0.95  1.0
  Ge  Ge4  18  0.2  0.08  0.46  1.0
  Ge  Ge5  9  0.01  0.02  0.19  1.0
  Ge  Ge6  9  0.07  0.04  0.61  1.0
  Ge  Ge7  9  0.17  0.09  0.05  1.0
  Ge  Ge8  9  0.21  0.42  0.13  1.0

Sr Sr Sr Sr Sr Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Sr Sr Sr Sr Sr Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 22 o o o 0 26 o o o 0 18 o o o 1 24 o o o 1 17 o o o 1 27 o o o 2 23 o o o 2 25 o o o 2 20 o o o 3 19 o o o 3 28 o o o 3 21 o o o 4 14 - - o 4 5 - o - 4 13 - o - 4 6 o - - 4 11 o - - 4 12 - - o 5 6 + - o 5 9 o o o 6 16 o o o 7 14 o o o 7 12 o o o 8 10 o o o 8 15 o o o 9 13 o o o 10 15 o o o 11 12 - o + 11 16 o o o 13 14 o - + 