data_[H4Pd1N1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.0140]
_cell_length_b [5.0140]
_cell_length_c [4.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [H4PdNCl3]
_chemical_formula_sum '[H4 Pd1 N1 Cl3]'
_cell_volume [124.3208]
_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
[
  H  H0  4  0.0000  0.1681  0.6211  1.0
  Pd  Pd1  1  0.5000  0.5000  0.0000  1.0
  N  N2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.0000  0.5000  0.9740  1.0
  Cl  Cl4  1  0.5000  0.5000  0.5000  1.0
]