data_Sr4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97
_cell_length_b   10.97
_cell_length_c   10.97
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Sn
_chemical_formula_sum   'Sr16 Sn4'
_cell_volume   1015.13
_cell_formula_units_Z   4
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  Sr4  1  0.73  0.73  0.73  1.0
  Sr  Sr5  1  0.4  0.6  0.6  1.0
  Sr  Sr6  1  0.6  0.4  0.6  1.0
  Sr  Sr7  1  0.6  0.6  0.4  1.0
  Sr  Sr8  1  0.0  0.0  0.91  1.0
  Sr  Sr9  1  0.0  0.0  0.75  1.0
  Sr  Sr10  1  0.0  0.91  0.0  1.0
  Sr  Sr11  1  0.0  0.75  0.0  1.0
  Sr  Sr12  1  0.91  0.0  0.0  1.0
  Sr  Sr13  1  0.75  0.0  0.0  1.0
  Sr  Sr14  1  0.33  0.0  0.17  1.0
  Sr  Sr15  1  0.0  0.33  0.17  1.0
  Sr  Sr16  1  0.0  0.17  0.33  1.0
  Sr  Sr17  1  0.33  0.17  0.0  1.0
  Sr  Sr18  1  0.17  0.33  0.0  1.0
  Sr  Sr19  1  0.17  0.0  0.33  1.0
  Sn  Sn0  1  0.89  0.89  0.89  1.0
  Sn  Sn1  1  0.56  0.44  0.44  1.0
  Sn  Sn2  1  0.44  0.56  0.44  1.0
  Sn  Sn3  1  0.44  0.44  0.56  1.0

data_Sr4Sn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.91
_cell_length_b   17.91
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4Sn
_chemical_formula_sum   'Sr48 Sn12'
_cell_volume   3045.4
_cell_formula_units_Z   12
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  0.0  0.17  0.17  1.0
  Sr  Sr1  9  0.03  0.06  0.97  1.0
  Sr  Sr2  9  0.07  0.13  0.53  1.0
  Sr  Sr3  9  0.08  0.17  0.92  1.0
  Sr  Sr4  3  0.0  0.0  0.73  1.0
  Sn  Sn5  9  0.08  0.04  0.48  1.0
  Sn  Sn6  3  0.0  0.0  0.89  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sn Sn Sn Sn
Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sn Sn Sn Sn 0 16 o o o 1 19 o o o 1 18 o o o 2 19 o o o 2 17 o o o 3 18 o o o 3 17 o o o 4 16 - - o 4 8 - o + 4 6 o - + 4 5 o o o 4 13 o o + 4 14 o o + 5 13 o o + 5 14 o o + 6 16 - o - 6 8 - + o 6 7 o o o 6 10 o + o 6 15 o + o 7 10 o + o 7 15 o + o 8 16 o - - 8 9 o o o 8 11 + o o 8 12 + o o 9 11 + o o 9 12 + o o 10 13 o o o 10 15 o o o 11 12 o o o 11 14 o o o 12 15 o o o 13 14 o o o 17 19 o o o 17 18 o o o 18 19 o o o 