data_[Li4V2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8882]
_cell_length_b [3.9576]
_cell_length_c [6.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2VPd8]
_chemical_formula_sum '[Li4 V2 Pd16]'
_cell_volume [323.9535]
_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
[
  Li  Li0  4  0.2252  0.0000  0.6423  1
  V  V1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0442  0.0000  0.7298  1
  Pd  Pd3  4  0.0935  0.5000  0.4502  1
  Pd  Pd4  4  0.1363  0.0000  0.1808  1
  Pd  Pd5  4  0.1804  0.5000  0.9165  1
]