data_BaY2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   134.5
_cell_angle_beta   134.5
_cell_angle_gamma   66.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Bi
_chemical_formula_sum   'Ba1 Y2 Bi1'
_cell_volume   137.69
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.51  0.72  1.0
  Y  Y3  1  0.51  0.0  0.72  1.0
  Bi  Bi1  1  0.0  0.0  0.44  1.0

data_BaY2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   123.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaY2Bi
_chemical_formula_sum   'Ba2 Y4 Bi2'
_cell_volume   275.37
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Y  Y1  4  0.24  0.24  0.21  1.0
  Bi  Bi2  2  0.0  0.0  0.44  1.0

Ba Y Y Bi
BaY2Bi crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Bi(1) atoms. Both Ba(1)-Y(1) bond lengths are 2.29 Å. There is one shorter (2.89 Å) and one longer (3.61 Å) Ba(1)-Bi(1) bond length. Y(1) is bonded in a distorted linear geometry to one Ba(1) and two equivalent Bi(1) atoms. There is one shorter (2.45 Å) and one longer (3.35 Å) Y(1)-Bi(1) bond length. Bi(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Y(1) atoms.