data_KCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   146.92
_cell_angle_beta   121.43
_cell_angle_gamma   68.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2B
_chemical_formula_sum   'K1 Cd2 B1'
_cell_volume   102.76
_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  0.01  1.0
  Cd  Cd1  1  0.0  0.97  0.33  1.0
  Cd  Cd2  1  0.73  0.0  0.67  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_KCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.94
_cell_length_c   6.07
_cell_angle_alpha   119.28
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2B
_chemical_formula_sum   'K1 Cd2 B1'
_cell_volume   102.76
_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  0.01  0.01  1.0
  Cd  Cd1  1  0.0  0.67  0.94  1.0
  Cd  Cd2  1  0.03  0.36  0.36  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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