data_[Li12Sn2Pd2]
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 [Amm2]
_cell_length_a [4.5389]
_cell_length_b [6.4140]
_cell_length_c [9.0267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6SnPd]
_chemical_formula_sum '[Li12 Sn2 Pd2]'
_cell_volume [262.7896]
_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  0.0000  0.2370  0.1184  1.0
  Li  Li1  4  0.5000  0.2352  0.8836  1.0
  Li  Li2  2  0.0000  0.0000  0.3929  1.0
  Li  Li3  2  0.5000  0.0000  0.1176  1.0
  Sn  Sn4  2  0.5000  0.0000  0.6340  1.0
  Pd  Pd5  2  0.0000  0.0000  0.8518  1.0
]