data_[V4Pd12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [19.9635]
_cell_length_b [7.0659]
_cell_length_c [13.6010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [V(PdCl3)3]
_chemical_formula_sum '[V4 Pd12 Cl36]'
_cell_volume [1517.9080]
_cell_formula_units_Z [4]
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
[
  V  V0  4  0.2149  0.2791  0.4518  1
  Pd  Pd1  4  0.0320  0.0470  0.0965  1
  Pd  Pd2  4  0.0448  0.3249  0.8266  1
  Pd  Pd3  4  0.4126  0.4444  0.2815  1
  Cl  Cl4  4  0.0817  0.2773  0.2533  1
  Cl  Cl5  4  0.0991  0.2127  0.7250  1
  Cl  Cl6  4  0.1844  0.4328  0.9905  1
  Cl  Cl7  4  0.1880  0.0615  0.5338  1
  Cl  Cl8  4  0.2717  0.1868  0.3634  1
  Cl  Cl9  4  0.3594  0.3197  0.6332  1
  Cl  Cl10  4  0.4010  0.2164  0.1508  1
  Cl  Cl11  4  0.4465  0.6654  0.4311  1
  Cl  Cl12  4  0.4815  0.2065  0.4405  1
]