data_KBi3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi3F
_chemical_formula_sum   'K1 Bi3 F1'
_cell_volume   144.15
_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  0.62  0.62  0.62  1.0
  Bi  Bi1  1  0.0  0.62  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.62  1.0
  Bi  Bi3  1  0.62  0.0  0.0  1.0
  F  F4  1  0.0  0.0  0.0  1.0

data_KBi3F
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBi3F
_chemical_formula_sum   'K3 Bi9 F3'
_cell_volume   432.46
_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
  K  K0  3  0.0  0.0  0.62  1.0
  Bi  Bi1  9  0.08  0.54  0.54  1.0
  F  F2  3  0.0  0.0  0.0  1.0

K Bi Bi Bi F
K Bi Bi Bi F 0 2 + + o 0 1 + o + 0 3 o + + 1 4 o + o 2 4 o o + 3 4 + o o 
KBi3F is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 9-coordinate geometry to nine equivalent Bi(1) atoms. There are three shorter (2.81 Å) and six longer (3.82 Å) K(1)-Bi(1) bond lengths. Bi(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one F(1) atom. The Bi(1)-F(1) bond length is 1.98 Å. F(1) is bonded in a distorted T-shaped geometry to three equivalent Bi(1) atoms.