data_[V18Pd6Se36]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6793]
_cell_length_b [10.6793]
_cell_length_c [12.9345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V3PdSe6]
_chemical_formula_sum '[V18 Pd6 Se36]'
_cell_volume [1277.5051]
_cell_formula_units_Z [6]
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  18  0.0538  0.2743  0.7044  1
  Pd  Pd1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0208  0.2193  0.8960  1
  Se  Se4  18  0.0301  0.1909  0.3679  1
]