data_Cd3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   153.98
_cell_angle_beta   51.15
_cell_angle_gamma   136.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3P
_chemical_formula_sum   'Cd3 P1'
_cell_volume   88.14
_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
  Cd  Cd0  1  0.0  0.52  0.35  1.0
  Cd  Cd1  1  0.0  0.48  0.35  1.0
  Cd  Cd2  1  0.5  0.0  0.45  1.0
  P  P3  1  0.0  0.0  0.93  1.0

data_Cd3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.9
_cell_length_c   6.65
_cell_angle_alpha   111.61
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3P
_chemical_formula_sum   'Cd3 P1'
_cell_volume   88.14
_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
  Cd  Cd0  1  0.35  0.87  0.87  1.0
  Cd  Cd1  1  0.35  0.83  0.83  1.0
  Cd  Cd2  1  0.45  0.45  0.95  1.0
  P  P3  1  0.93  0.93  0.93  1.0

Cd Cd Cd P
Cd Cd Cd P 0 1 o o o 0 2 o + o 0 2 - o o 0 3 o o - 0 3 o + o 1 2 o + o 1 2 - o o 1 3 o o - 1 3 o + o 2 3 o - - 2 3 o o o 2 3 + + o 2 3 + o - 