data_KB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2
_chemical_formula_sum   'K4 B8'
_cell_volume   328.61
_cell_formula_units_Z   4
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  K8  1  0.45  0.0  0.45  1.0
  K  K9  1  0.0  0.45  0.45  1.0
  K  K10  1  0.0  0.0  0.0  1.0
  K  K11  1  0.45  0.45  0.0  1.0
  B  B0  1  0.46  0.91  0.44  1.0
  B  B1  1  0.44  0.99  0.46  1.0
  B  B2  1  0.91  0.44  0.46  1.0
  B  B3  1  0.99  0.46  0.44  1.0
  B  B4  1  0.44  0.46  0.91  1.0
  B  B5  1  0.46  0.44  0.99  1.0
  B  B6  1  0.99  0.99  0.99  1.0
  B  B7  1  0.91  0.91  0.91  1.0

data_KB2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.76
_cell_length_b   9.76
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   KB2
_chemical_formula_sum   'K12 B24'
_cell_volume   985.84
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.03  0.52  0.97  1.0
  K  K1  3  0.0  0.0  0.0  1.0
  B  B2  9  0.03  0.52  0.96  1.0
  B  B3  9  0.17  0.36  0.27  1.0
  B  B4  3  0.0  0.0  0.91  1.0
  B  B5  3  0.0  0.0  0.99  1.0

K K K K B B B B B B B B