data_KNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.72
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbBi2
_chemical_formula_sum   'K1 Nb1 Bi2'
_cell_volume   112.6
_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
  Nb  Nb3  1  0.92  0.0  0.42  1.0
  Bi  Bi0  1  0.59  0.86  0.15  1.0
  Bi  Bi1  1  0.67  0.86  0.69  1.0

data_KNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.72
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbBi2
_chemical_formula_sum   'K1 Nb1 Bi2'
_cell_volume   112.6
_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
  Nb  Nb1  1  0.92  0.0  0.42  1.0
  Bi  Bi2  1  0.59  0.86  0.15  1.0
  Bi  Bi3  1  0.67  0.86  0.69  1.0

K Nb Bi Bi
K Nb Bi Bi 0 2 - - o 0 2 o - o 0 3 - - - 1 2 o - o 1 3 o - o 