data_CdPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   144.43
_cell_angle_beta   144.43
_cell_angle_gamma   51.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPdBr2
_chemical_formula_sum   'Cd1 Pd1 Br2'
_cell_volume   92.78
_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  Cd2  1  0.99  0.0  0.93  1.0
  Pd  Pd3  1  0.0  0.0  0.87  1.0
  Br  Br0  1  0.0  0.99  0.93  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_CdPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   6.51
_cell_angle_alpha   107.78
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPdBr2
_chemical_formula_sum   'Cd1 Pd1 Br2'
_cell_volume   92.78
_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  0.07  0.0  0.05  1.0
  Pd  Pd1  1  0.13  0.0  0.13  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.05  0.99  0.05  1.0

Cd Pd Br Br