data_CdP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   3.47
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   118.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP2Br
_chemical_formula_sum   'Cd1 P2 Br1'
_cell_volume   86.8
_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  0.78  0.73  0.16  1.0
  P  P2  1  0.42  0.0  0.59  1.0
  P  P3  1  0.12  0.73  0.89  1.0
  Br  Br0  1  0.9  0.0  0.31  1.0

data_CdP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.23
_cell_length_c   5.44
_cell_angle_alpha   118.48
_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   86.8
_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  0.27  0.22  0.84  1.0
  P  P1  1  0.0  0.58  0.41  1.0
  P  P2  1  0.27  0.88  0.11  1.0
  Br  Br3  1  0.0  0.1  0.69  1.0

Cd P P Br