data_CdP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.93
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP2Br
_chemical_formula_sum   'Cd1 P2 Br1'
_cell_volume   79.22
_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  Cd1  1  0.0  0.46  0.51  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.6  0.0  0.51  1.0
  Br  Br0  1  0.6  0.46  0.0  1.0

data_CdP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.93
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP2Br
_chemical_formula_sum   'Cd1 P2 Br1'
_cell_volume   79.22
_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  0.46  0.51  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.6  0.0  0.51  1.0
  Br  Br3  1  0.6  0.46  0.0  1.0

Cd P P Br
CdP2Br crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 7-coordinate geometry to three equivalent P(2) and four equivalent Br(1) atoms. There are a spread of Cd(1)-P(2) bond distances ranging from 2.62-2.98 Å. There are a spread of Cd(1)-Br(1) bond distances ranging from 2.76-3.22 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to three equivalent Br(1) atoms. There are a spread of P(1)-Br(1) bond distances ranging from 2.62-2.98 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to three equivalent Cd(1) atoms. Br(1) is bonded in a 7-coordinate geometry to four equivalent Cd(1) and three equivalent P(1) atoms.