data_YSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   138.18
_cell_angle_beta   138.18
_cell_angle_gamma   60.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Bi
_chemical_formula_sum   'Y1 Sn2 Bi1'
_cell_volume   112.02
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.26  0.74  1.0
  Sn  Sn2  1  0.26  0.0  0.74  1.0
  Bi  Bi0  1  0.0  0.0  0.47  1.0

data_YSn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   120.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSn2Bi
_chemical_formula_sum   'Y2 Sn4 Bi2'
_cell_volume   224.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.4  0.13  0.53  1.0
  Bi  Bi2  2  0.03  0.5  0.53  1.0

Y Sn Sn Bi
Y Sn Sn Bi 0 1 o o - 0 1 o o o 0 1 o - - 0 2 - o - 0 2 o o - 0 2 o o o 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
YSn2Bi crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 5-coordinate geometry to four equivalent Sn(1) and one Bi(1) atom. There are two shorter (3.12 Å) and two longer (3.61 Å) Y(1)-Sn(1) bond lengths. The Y(1)-Bi(1) bond length is 2.99 Å. Sn(1) is bonded in a single-bond geometry to two equivalent Y(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 1.19 Å. Bi(1) is bonded in a distorted L-shaped geometry to one Y(1) and two equivalent Sn(1) atoms.