data_[Li14Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2998]
_cell_length_b [2.7658]
_cell_length_c [11.0812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Pd5]
_chemical_formula_sum '[Li14 Pd10]'
_cell_volume [373.9579]
_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  0.0279  0.0000  0.2489  1.0
  Li  Li1  4  0.1809  0.5000  0.0921  1.0
  Li  Li2  4  0.1961  0.0000  0.6745  1.0
  Li  Li3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  4  0.1349  0.5000  0.8600  1.0
  Pd  Pd5  4  0.1643  0.0000  0.4364  1.0
  Pd  Pd6  2  0.0000  0.0000  0.0000  1.0
]