data_Pd2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   149.31
_cell_angle_beta   149.31
_cell_angle_gamma   43.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2BrCl
_chemical_formula_sum   'Pd2 Br1 Cl1'
_cell_volume   83.41
_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
  Pd  Pd2  1  0.81  0.0  0.17  1.0
  Pd  Pd3  1  0.0  0.0  0.35  1.0
  Br  Br0  1  0.0  0.81  0.17  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Pd2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.85
_cell_angle_alpha   105.35
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2BrCl
_chemical_formula_sum   'Pd2 Br1 Cl1'
_cell_volume   83.41
_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
  Pd  Pd0  1  0.65  0.0  0.65  1.0
  Pd  Pd1  1  0.83  0.0  0.64  1.0
  Br  Br2  1  0.64  0.81  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Pd Pd Br Cl