data_AlCdB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   150.59
_cell_angle_beta   147.9
_cell_angle_gamma   44.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdB2
_chemical_formula_sum   'Al1 Cd1 B2'
_cell_volume   57.82
_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
  Al  Al0  1  0.0  0.0  0.47  1.0
  Cd  Cd3  1  0.54  0.0  0.21  1.0
  B  B1  1  0.54  0.0  0.4  1.0
  B  B2  1  0.0  0.0  0.78  1.0

data_AlCdB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.35
_cell_length_c   6.06
_cell_angle_alpha   106.05
_cell_angle_beta   104.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdB2
_chemical_formula_sum   'Al1 Cd1 B2'
_cell_volume   57.82
_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
  Al  Al0  1  0.0  0.47  0.47  1.0
  Cd  Cd1  1  0.0  0.21  0.67  1.0
  B  B2  1  0.0  0.4  0.86  1.0
  B  B3  1  0.0  0.78  0.78  1.0

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