data_CdPdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.45
_cell_length_c   3.4
_cell_angle_alpha   80.64
_cell_angle_beta   69.72
_cell_angle_gamma   29.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPdBr
_chemical_formula_sum   'Cd1 Pd1 Br1'
_cell_volume   65.92
_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  0.89  0.83  0.31  1.0
  Pd  Pd2  1  0.89  0.83  0.06  1.0
  Br  Br0  1  0.89  0.83  0.3  1.0

data_CdPdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.78
_cell_length_b   12.34
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   123.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdPdBr
_chemical_formula_sum   'Cd2 Pd2 Br2'
_cell_volume   131.84
_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  0.39  0.5  0.2  1.0
  Pd  Pd1  2  0.39  0.5  0.95  1.0
  Br  Br2  2  0.39  0.5  0.19  1.0

Cd Pd Br