data_[Pd4Br4Cl14]
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_1/c]
_cell_length_a [9.4171]
_cell_length_b [5.1859]
_cell_length_c [11.9974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd2Br2Cl7]
_chemical_formula_sum '[Pd4 Br4 Cl14]'
_cell_volume [585.1830]
_cell_formula_units_Z [2]
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  4  0.1167  0.5140  0.1904  1
  Br  Br1  4  0.4723  0.2230  0.8672  1
  Cl  Cl2  4  0.0954  0.0129  0.2058  1
  Cl  Cl3  4  0.2633  0.5265  0.3667  1
  Cl  Cl4  4  0.3226  0.0040  0.5918  1
  Cl  Cl5  2  0.0000  0.0000  0.5000  1
]