data_KNb2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.27
_cell_angle_alpha   104.48
_cell_angle_beta   104.48
_cell_angle_gamma   43.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2B
_chemical_formula_sum   'K1 Nb2 B1'
_cell_volume   92.98
_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  K1  1  0.08  0.0  0.95  1.0
  Nb  Nb2  1  0.28  0.0  0.11  1.0
  Nb  Nb3  1  0.32  0.0  0.76  1.0
  B  B0  1  0.83  0.0  0.68  1.0

data_KNb2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.39
_cell_length_c   7.27
_cell_angle_alpha   104.48
_cell_angle_beta   90.0
_cell_angle_gamma   111.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2B
_chemical_formula_sum   'K1 Nb2 B1'
_cell_volume   92.98
_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  0.92  0.05  1.0
  Nb  Nb1  1  0.0  0.68  0.24  1.0
  Nb  Nb2  1  0.0  0.72  0.89  1.0
  B  B3  1  0.0  0.17  0.32  1.0

K Nb Nb B