data_[V4Pd2I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7531]
_cell_length_b [10.7713]
_cell_length_c [8.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2PdI8]
_chemical_formula_sum '[V4 Pd2 I16]'
_cell_volume [1098.0791]
_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
[
  V  V0  4  0.1940  0.0000  0.2694  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0460  0.1795  0.2196  1
  I  I3  4  0.1782  0.5000  0.9357  1
  I  I4  4  0.1931  0.5000  0.4567  1
]