data_[Ba6Li4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6337]
_cell_length_b [4.6301]
_cell_length_c [9.2017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(LiPd2)2]
_chemical_formula_sum '[Ba6 Li4 Pd8]'
_cell_volume [471.0071]
_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
[
  Ba  Ba0  4  0.1304  0.5000  0.7010  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1844  0.5000  0.3550  1.0
  Pd  Pd3  4  0.0902  0.0000  0.4250  1.0
  Pd  Pd4  4  0.2186  0.5000  0.0683  1.0
]