data_KReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.27
_cell_angle_alpha   90.78
_cell_angle_beta   90.78
_cell_angle_gamma   106.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReBi2
_chemical_formula_sum   'K1 Re1 Bi2'
_cell_volume   106.94
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.49  0.0  0.0  1.0
  Bi  Bi0  1  0.71  0.65  0.63  1.0
  Bi  Bi1  1  0.71  0.35  0.63  1.0

data_KReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   106.77
_cell_angle_beta   90.78
_cell_angle_gamma   90.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReBi2
_chemical_formula_sum   'K1 Re1 Bi2'
_cell_volume   106.94
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.49  0.0  1.0
  Bi  Bi2  1  0.63  0.71  0.35  1.0
  Bi  Bi3  1  0.63  0.71  0.65  1.0

K Re Bi Bi
K Re Bi Bi 0 2 - - - 0 2 - - o 0 3 - o - 0 1 - o o 0 1 o o o 0 0 o o + 1 2 o - - 1 3 o o - 1 3 o o o 2 3 o o o 
KReBi2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to two equivalent Re(1), one Bi(1), and one Bi(2) atom. There is one shorter (2.85 Å) and one longer (3.00 Å) K(1)-Re(1) bond length. The K(1)-Bi(1) bond length is 2.52 Å. The K(1)-Bi(2) bond length is 3.24 Å. Re(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Bi(1), and two equivalent Bi(2) atoms. The Re(1)-Bi(1) bond length is 2.94 Å. There is one shorter (2.41 Å) and one longer (2.89 Å) Re(1)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 1-coordinate geometry to one K(1), one Re(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.79 Å. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Re(1), and one Bi(1) atom.