data_CdB3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   2.99
_cell_length_c   13.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB3P
_chemical_formula_sum   'Cd4 B12 P4'
_cell_volume   253.0
_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  0.13  0.75  0.04  1.0
  Cd  Cd13  1  0.62  0.24  0.54  1.0
  Cd  Cd14  1  0.37  0.24  0.98  1.0
  Cd  Cd15  1  0.88  0.75  0.47  1.0
  B  B0  1  0.3  0.75  0.74  1.0
  B  B1  1  0.45  0.24  0.23  1.0
  B  B2  1  0.2  0.24  0.27  1.0
  B  B3  1  0.05  0.75  0.78  1.0
  B  B4  1  0.35  0.75  0.91  1.0
  B  B5  1  0.4  0.24  0.42  1.0
  B  B6  1  0.15  0.24  0.11  1.0
  B  B7  1  0.1  0.75  0.6  1.0
  B  B8  1  0.76  0.75  0.91  1.0
  B  B9  1  0.98  0.24  0.4  1.0
  B  B10  1  0.73  0.24  0.11  1.0
  B  B11  1  0.51  0.75  0.62  1.0
  P  P16  1  0.61  0.75  0.93  1.0
  P  P17  1  0.14  0.24  0.42  1.0
  P  P18  1  0.89  0.24  0.09  1.0
  P  P19  1  0.36  0.75  0.6  1.0

data_CdB3P
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.5
_cell_length_b   2.99
_cell_length_c   13.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   CdB3P
_chemical_formula_sum   'Cd4 B12 P4'
_cell_volume   253.0
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -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
  Cd  Cd0  2  0.12  0.25  0.97  1.0
  Cd  Cd1  2  0.37  0.25  0.54  1.0
  B  B2  2  0.05  0.75  0.73  1.0
  B  B3  2  0.1  0.75  0.9  1.0
  B  B4  2  0.15  0.25  0.41  1.0
  B  B5  2  0.2  0.25  0.23  1.0
  B  B6  2  0.27  0.75  0.61  1.0
  B  B7  2  0.49  0.25  0.1  1.0
  P  P8  2  0.11  0.75  0.59  1.0
  P  P9  2  0.36  0.75  0.92  1.0

Cd Cd Cd Cd B B B B B B B B B B B B P P P P