data_[Li14Pd6]
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 [13.0753]
_cell_length_b [4.3059]
_cell_length_c [5.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Pd3]
_chemical_formula_sum '[Li14 Pd6]'
_cell_volume [287.5908]
_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  0.1054  0.5000  0.9060  1.0
  Li  Li1  4  0.1115  0.5000  0.3970  1.0
  Li  Li2  4  0.2006  0.0000  0.2771  1.0
  Li  Li3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  4  0.1937  0.0000  0.7873  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]