data_[Pd1Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5061]
_cell_length_b [3.7539]
_cell_length_c [6.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pd(BrCl)2]
_chemical_formula_sum '[Pd1 Br2 Cl2]'
_cell_volume [129.6417]
_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  0.5000  0.5000  0.0000  1
  Br  Br1  2  0.2749  0.0000  0.1721  1
  Cl  Cl2  2  0.2087  0.5000  0.7115  1
]