data_[Li24Sn4Pd12]
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 [Cmc2_1]
_cell_length_a [9.3349]
_cell_length_b [14.3494]
_cell_length_c [4.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6SnPd3]
_chemical_formula_sum '[Li24 Sn4 Pd12]'
_cell_volume [669.6907]
_cell_formula_units_Z [4]
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  8  0.1491  0.4652  0.4740  1
  Li  Li1  8  0.2467  0.1996  0.1054  1
  Li  Li2  4  0.0000  0.0546  0.2850  1
  Li  Li3  4  0.0000  0.2944  0.3021  1
  Sn  Sn4  4  0.0000  0.1777  0.7933  1
  Pd  Pd5  8  0.2396  0.1221  0.5726  1
  Pd  Pd6  4  0.0000  0.3665  0.8303  1
]