data_K2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   4.15
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InB
_chemical_formula_sum   'K2 In1 B1'
_cell_volume   170.81
_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  0.08  0.0  0.06  1.0
  K  K3  1  0.07  0.08  0.95  1.0
  In  In1  1  0.61  0.08  0.71  1.0
  B  B0  1  0.66  0.0  0.2  1.0

data_K2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.18
_cell_length_c   8.1
_cell_angle_alpha   101.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InB
_chemical_formula_sum   'K2 In1 B1'
_cell_volume   170.81
_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  0.94  1.0
  K  K1  1  0.92  0.93  0.05  1.0
  In  In2  1  0.92  0.39  0.29  1.0
  B  B3  1  0.0  0.34  0.8  1.0

K K In B
K K In B 0 1 o o - 0 2 - o - 0 3 o o o 0 3 - o o 1 2 - o o 1 3 o o + 1 3 - o + 