data_CdP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   142.72
_cell_angle_beta   142.72
_cell_angle_gamma   53.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP2Pb
_chemical_formula_sum   'Cd1 P2 Pb1'
_cell_volume   88.58
_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  0.0  0.57  1.0
  P  P1  1  0.0  0.99  0.78  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.99  0.0  0.78  1.0

data_CdP2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   116.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdP2Pb
_chemical_formula_sum   'Cd2 P4 Pb2'
_cell_volume   177.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -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  0.07  0.5  0.57  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.29  0.5  0.79  1.0
  Pb  Pb3  2  0.29  0.5  0.79  1.0

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