data_[Li12Si2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2154]
_cell_length_b [7.6476]
_cell_length_c [6.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6SiPd2]
_chemical_formula_sum '[Li12 Si2 Pd4]'
_cell_volume [259.4281]
_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  0.0248  0.6560  0.0400  1
  Li  Li1  4  0.1835  0.0127  0.1593  1
  Li  Li2  4  0.3763  0.6758  0.3667  1
  Si  Si3  2  0.5000  0.0000  0.5000  1
  Pd  Pd4  4  0.3062  0.1449  0.7871  1
]