data_SrSn4Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn4Bi
_chemical_formula_sum   'Sr1 Sn4 Bi1'
_cell_volume   182.92
_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  Sr5  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.38  0.38  0.63  1.0
  Sn  Sn2  1  0.38  0.63  0.38  1.0
  Sn  Sn3  1  0.63  0.38  0.38  1.0
  Sn  Sn4  1  0.63  0.63  0.63  1.0
  Bi  Bi0  1  0.25  0.25  0.25  1.0

data_SrSn4Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   15.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrSn4Bi
_chemical_formula_sum   'Sr3 Sn12 Bi3'
_cell_volume   548.77
_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  0.0  1.0
  Sn  Sn1  9  0.08  0.16  0.54  1.0
  Sn  Sn2  3  0.0  0.0  0.37  1.0
  Bi  Bi3  3  0.0  0.0  0.75  1.0

Sr Sn Sn Sn Sn Bi
SrSn4Bi crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to three equivalent Sn(1), three equivalent Sn(2), and four equivalent Bi(1) atoms. All Sr(1)-Sn(1) bond lengths are 3.46 Å. All Sr(1)-Sn(2) bond lengths are 3.73 Å. There are three shorter (3.89 Å) and one longer (3.95 Å) Sr(1)-Bi(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sn(2), two equivalent Sn(1), and two equivalent Bi(1) atoms. The Sn(1)-Sn(2) bond length is 2.69 Å. Both Sn(1)-Sn(1) bond lengths are 1.55 Å. There is one shorter (3.36 Å) and one longer (3.43 Å) Sn(1)-Bi(1) bond length. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1) and three equivalent Sn(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1) and six equivalent Sn(1) atoms.