data_KB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   8.17
_cell_angle_alpha   22.44
_cell_angle_beta   22.44
_cell_angle_gamma   22.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Cl
_chemical_formula_sum   'K1 B2 Cl1'
_cell_volume   69.66
_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  K3  1  0.0  0.0  0.94  1.0
  B  B0  1  0.0  0.0  0.41  1.0
  B  B1  1  0.0  0.0  0.47  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_KB2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KB2Cl
_chemical_formula_sum   'K2 B4 Cl2'
_cell_volume   139.32
_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  0.06  1.0
  B  B1  2  0.0  0.0  0.53  1.0
  B  B2  2  0.0  0.0  0.59  1.0
  Cl  Cl3  2  -0.0  0.0  0.0  1.0

K B B Cl