data_CdP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP4
_chemical_formula_sum   'Cd4 P16'
_cell_volume   377.82
_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  Cd0  1  0.08  0.92  0.92  1.0
  Cd  Cd1  1  0.92  0.08  0.92  1.0
  Cd  Cd2  1  0.92  0.92  0.08  1.0
  Cd  Cd3  1  0.63  0.63  0.63  1.0
  P  P4  1  0.62  0.38  0.38  1.0
  P  P5  1  0.38  0.62  0.38  1.0
  P  P6  1  0.38  0.38  0.62  1.0
  P  P7  1  0.17  0.17  0.17  1.0
  P  P8  1  0.93  0.0  0.0  1.0
  P  P9  1  0.18  0.0  0.0  1.0
  P  P10  1  0.0  0.18  0.0  1.0
  P  P11  1  0.0  0.93  0.0  1.0
  P  P12  1  0.0  0.0  0.18  1.0
  P  P13  1  0.0  0.0  0.93  1.0
  P  P14  1  0.99  0.55  0.0  1.0
  P  P15  1  0.56  0.0  0.55  1.0
  P  P16  1  0.55  0.56  0.0  1.0
  P  P17  1  0.0  0.99  0.55  1.0
  P  P18  1  0.0  0.55  0.56  1.0
  P  P19  1  0.55  0.0  0.99  1.0

data_CdP4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.88
_cell_length_b   12.88
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdP4
_chemical_formula_sum   'Cd12 P48'
_cell_volume   1133.47
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.11  0.05  0.97  1.0
  Cd  Cd1  3  0.0  0.0  0.63  1.0
  P  P2  9  0.02  0.05  0.98  1.0
  P  P3  9  0.04  0.52  0.52  1.0
  P  P4  9  0.12  0.06  0.06  1.0
  P  P5  9  0.15  0.08  0.46  1.0
  P  P6  9  0.19  0.37  0.37  1.0
  P  P7  3  0.0  0.0  0.17  1.0

Cd Cd Cd Cd P P P P P P P P P P P P P P P P