data_YSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   138.8
_cell_angle_beta   137.5
_cell_angle_gamma   60.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Bi
_chemical_formula_sum   'Y1 Sn2 Bi1'
_cell_volume   111.65
_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  0.29  0.73  1.0
  Sn  Sn2  1  0.23  0.0  0.73  1.0
  Bi  Bi0  1  0.0  0.0  0.46  1.0

data_YSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.59
_cell_length_c   6.33
_cell_angle_alpha   111.25
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Bi
_chemical_formula_sum   'Y1 Sn2 Bi1'
_cell_volume   111.65
_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  Y0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.27  0.56  0.56  1.0
  Sn  Sn2  1  0.5  0.27  0.5  1.0
  Bi  Bi3  1  0.54  0.54  0.54  1.0

Y Sn Sn Bi
YSn2Bi crystallizes in the triclinic P1 space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and one Bi(1) atom. There is one shorter (3.32 Å) and one longer (3.39 Å) Y(1)-Sn(1) bond length. There is one shorter (2.94 Å) and one longer (3.81 Å) Y(1)-Sn(2) bond length. The Y(1)-Bi(1) bond length is 2.93 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 1.27 Å. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one Bi(1) atom. The Sn(2)-Bi(1) bond length is 1.16 Å. Bi(1) is bonded in a 2-coordinate geometry to one Y(1), one Sn(1), and one Sn(2) atom.