data_Sr12Si17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89
_cell_length_b   10.89
_cell_length_c   10.89
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr12Si17
_chemical_formula_sum   'Sr12 Si17'
_cell_volume   995.46
_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  Sr17  1  0.54  0.78  0.54  1.0
  Sr  Sr18  1  0.75  0.49  0.75  1.0
  Sr  Sr19  1  0.46  0.8  0.54  1.0
  Sr  Sr20  1  0.54  0.8  0.46  1.0
  Sr  Sr21  1  0.8  0.46  0.54  1.0
  Sr  Sr22  1  0.8  0.54  0.46  1.0
  Sr  Sr23  1  0.49  0.75  0.75  1.0
  Sr  Sr24  1  0.78  0.54  0.54  1.0
  Sr  Sr25  1  0.54  0.46  0.8  1.0
  Sr  Sr26  1  0.46  0.54  0.8  1.0
  Sr  Sr27  1  0.54  0.54  0.78  1.0
  Sr  Sr28  1  0.75  0.75  0.49  1.0
  Si  Si0  1  0.65  0.19  0.65  1.0
  Si  Si1  1  0.64  0.48  0.64  1.0
  Si  Si2  1  0.64  0.1  0.36  1.0
  Si  Si3  1  0.36  0.1  0.64  1.0
  Si  Si4  1  0.1  0.64  0.36  1.0
  Si  Si5  1  0.1  0.36  0.64  1.0
  Si  Si6  1  0.48  0.64  0.64  1.0
  Si  Si7  1  0.19  0.65  0.65  1.0
  Si  Si8  1  0.36  0.64  0.1  1.0
  Si  Si9  1  0.64  0.36  0.1  1.0
  Si  Si10  1  0.65  0.65  0.19  1.0
  Si  Si11  1  0.64  0.64  0.48  1.0
  Si  Si12  1  0.82  0.18  0.82  1.0
  Si  Si13  1  0.47  0.47  0.47  1.0
  Si  Si14  1  0.18  0.82  0.82  1.0
  Si  Si15  1  0.82  0.82  0.18  1.0
  Si  Si16  1  0.0  0.0  0.0  1.0

data_Sr12Si17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.79
_cell_length_b   17.79
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr12Si17
_chemical_formula_sum   'Sr36 Si51'
_cell_volume   2986.39
_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  18  0.2  0.47  0.27  1.0
  Sr  Sr1  9  0.09  0.17  0.67  1.0
  Sr  Sr2  9  0.16  0.08  0.62  1.0
  Si  Si3  18  0.06  0.4  0.03  1.0
  Si  Si4  9  0.03  0.51  0.17  1.0
  Si  Si5  9  0.05  0.1  0.58  1.0
  Si  Si6  9  0.22  0.43  0.61  1.0
  Si  Si7  3  0.0  0.0  0.0  1.0
  Si  Si8  3  0.0  0.0  0.47  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si