data_KNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   6.73
_cell_angle_alpha   101.76
_cell_angle_beta   101.76
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbB2
_chemical_formula_sum   'K1 Nb1 B2'
_cell_volume   77.06
_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  0.81  0.0  0.19  1.0
  Nb  Nb3  1  0.89  0.0  0.03  1.0
  B  B0  1  0.98  0.0  0.76  1.0
  B  B1  1  0.57  0.0  0.84  1.0

data_KNbB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.7
_cell_length_c   6.73
_cell_angle_alpha   101.76
_cell_angle_beta   90.0
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbB2
_chemical_formula_sum   'K1 Nb1 B2'
_cell_volume   77.06
_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  0.19  0.81  1.0
  Nb  Nb1  1  0.0  0.11  0.97  1.0
  B  B2  1  0.0  0.02  0.24  1.0
  B  B3  1  0.0  0.43  0.16  1.0

K Nb B B