data_[Li6Sn8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0258]
_cell_length_b [4.5336]
_cell_length_c [9.4733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(Sn2Pd)2]
_chemical_formula_sum '[Li6 Sn8 Pd4]'
_cell_volume [344.2461]
_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  0.1677  0.5000  0.5417  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0000  0.0000  0.6615  1
  Sn  Sn3  4  0.1702  0.5000  0.8729  1
  Pd  Pd4  4  0.1647  0.5000  0.2496  1
]