data_[Ba6Li2Pd2]
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 [Pm]
_cell_length_a [8.5167]
_cell_length_b [6.3136]
_cell_length_c [8.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba3LiPd]
_chemical_formula_sum '[Ba6 Li2 Pd2]'
_cell_volume [462.2694]
_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  1  0.1388  0.0000  0.3395  1.0
  Ba  Ba1  1  0.3301  0.5000  0.0168  1.0
  Ba  Ba2  1  0.4859  0.5000  0.5090  1.0
  Ba  Ba3  1  0.6256  0.0000  0.8280  1.0
  Ba  Ba4  1  0.8436  0.5000  0.1255  1.0
  Ba  Ba5  1  0.9590  0.5000  0.6221  1.0
  Li  Li6  1  0.0773  0.0000  0.8085  1.0
  Li  Li7  1  0.6528  0.0000  0.3186  1.0
  Pd  Pd8  1  0.1625  0.5000  0.3234  1.0
  Pd  Pd9  1  0.8476  0.0000  0.5654  1.0
]