data_[Li2Si2Pd6]
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 [P-1]
_cell_length_a [4.6168]
_cell_length_b [5.3559]
_cell_length_c [6.4857]
_cell_angle_alpha [97.9015]
_cell_angle_beta [107.5698]
_cell_angle_gamma [103.2644]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiSiPd3]
_chemical_formula_sum '[Li2 Si2 Pd6]'
_cell_volume [145.0738]
_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  2  0.4453  0.1387  0.3383  1
  Si  Si1  2  0.0786  0.3033  0.8428  1
  Pd  Pd2  2  0.1667  0.8605  0.9033  1
  Pd  Pd3  2  0.4235  0.5774  0.2179  1
  Pd  Pd4  1  0.0000  0.0000  0.5000  1
  Pd  Pd5  1  0.0000  0.5000  0.5000  1
]