data_[Li5Nd2Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3968]
_cell_length_b [5.1971]
_cell_length_c [9.4308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li5Nd2Pd5]
_chemical_formula_sum '[Li5 Nd2 Pd5]'
_cell_volume [215.4991]
_cell_formula_units_Z [1]
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  0.5000  0.2477  0.2445  1.0
  Li  Li1  1  0.5000  0.5000  0.5000  1.0
  Nd  Nd2  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd3  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.1782  1.0
  Pd  Pd5  2  0.0000  0.5000  0.3327  1.0
  Pd  Pd6  1  0.5000  0.0000  0.0000  1.0
]