data_[Li4Nb2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4379]
_cell_length_b [6.4776]
_cell_length_c [6.7880]
_cell_angle_alpha [112.4715]
_cell_angle_beta [97.2938]
_cell_angle_gamma [103.7765]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2NbPd4]
_chemical_formula_sum '[Li4 Nb2 Pd8]'
_cell_volume [208.1681]
_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  1  0.1312  0.5338  0.8992  1.0
  Li  Li1  1  0.5346  0.2606  0.4738  1.0
  Li  Li2  1  0.7024  0.8437  0.3250  1.0
  Li  Li3  1  0.8486  0.4152  0.1713  1.0
  Nb  Nb4  1  0.0074  0.9866  0.0167  1.0
  Nb  Nb5  1  0.3872  0.7113  0.6218  1.0
  Pd  Pd6  1  0.0394  0.2623  0.4502  1.0
  Pd  Pd7  1  0.1878  0.8343  0.3058  1.0
  Pd  Pd8  1  0.2593  0.1168  0.7498  1.0
  Pd  Pd9  1  0.3672  0.4282  0.2002  1.0
  Pd  Pd10  1  0.5131  0.9953  0.0568  1.0
  Pd  Pd11  1  0.6348  0.5663  0.8982  1.0
  Pd  Pd12  1  0.7603  0.1229  0.7448  1.0
  Pd  Pd13  1  0.8768  0.6726  0.5864  1.0
]