data_CdInB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   3.14
_cell_length_c   15.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInB3
_chemical_formula_sum   'Cd4 In4 B12'
_cell_volume   319.16
_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
  Cd  Cd12  1  0.31  0.79  0.8  1.0
  Cd  Cd13  1  0.54  0.36  0.54  1.0
  Cd  Cd14  1  0.25  0.36  0.67  1.0
  Cd  Cd15  1  0.03  0.79  0.93  1.0
  In  In16  1  0.67  0.79  0.96  1.0
  In  In17  1  0.18  0.36  0.23  1.0
  In  In18  1  0.89  0.36  0.51  1.0
  In  In19  1  0.39  0.79  0.24  1.0
  B  B0  1  0.52  0.79  0.21  1.0
  B  B1  1  0.32  0.36  0.47  1.0
  B  B2  1  0.04  0.36  0.26  1.0
  B  B3  1  0.24  0.79  1.0  1.0
  B  B4  1  0.01  0.79  0.7  1.0
  B  B5  1  0.27  0.36  0.43  1.0
  B  B6  1  0.55  0.36  0.77  1.0
  B  B7  1  0.3  0.79  0.04  1.0
  B  B8  1  0.24  0.79  0.54  1.0
  B  B9  1  0.04  0.36  0.8  1.0
  B  B10  1  0.33  0.36  0.93  1.0
  B  B11  1  0.52  0.79  0.66  1.0

data_CdInB3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.14
_cell_length_b   6.56
_cell_length_c   15.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdInB3
_chemical_formula_sum   'Cd4 In4 B12'
_cell_volume   319.16
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cd  Cd0  2  0.21  0.25  0.2  1.0
  Cd  Cd1  2  0.21  0.53  0.07  1.0
  In  In2  2  0.21  0.61  0.51  1.0
  In  In3  2  0.21  0.89  0.23  1.0
  B  B4  2  0.21  0.23  0.96  1.0
  B  B5  2  0.21  0.46  0.8  1.0
  B  B6  2  0.21  0.46  0.26  1.0
  B  B7  2  0.21  0.51  0.3  1.0
  B  B8  2  0.21  0.74  0.93  1.0
  B  B9  2  0.21  0.74  0.47  1.0

Cd Cd Cd Cd In In In In B B B B B B B B B B B B