data_KNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   124.27
_cell_angle_beta   124.27
_cell_angle_gamma   82.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbBi2
_chemical_formula_sum   'K1 Nb1 Bi2'
_cell_volume   109.1
_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  0.0  0.0  0.13  1.0
  Bi  Bi0  1  0.0  0.57  0.06  1.0
  Bi  Bi1  1  0.57  0.0  0.06  1.0

data_KNbBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   131.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNbBi2
_chemical_formula_sum   'K2 Nb2 Bi4'
_cell_volume   218.2
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.13  1.0
  Bi  Bi2  4  0.21  0.21  0.49  1.0

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