data_Cd2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   140.07
_cell_angle_beta   140.07
_cell_angle_gamma   57.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PdBr
_chemical_formula_sum   'Cd2 Pd1 Br1'
_cell_volume   88.33
_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  0.05  0.0  0.63  1.0
  Cd  Cd2  1  0.0  0.0  0.26  1.0
  Pd  Pd3  1  0.0  0.05  0.63  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cd2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.0
_cell_angle_alpha   109.96
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PdBr
_chemical_formula_sum   'Cd2 Pd1 Br1'
_cell_volume   88.33
_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  0.37  0.0  0.42  1.0
  Cd  Cd1  1  0.74  0.0  0.74  1.0
  Pd  Pd2  1  0.42  0.05  0.42  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Cd Pd Br
Cd Cd Pd Br 0 2 o o o 1 3 o o o 