data_[Li6Ce6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3288]
_cell_length_b [4.0532]
_cell_length_c [12.6569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCePd]
_chemical_formula_sum '[Li6 Ce6 Pd6]'
_cell_volume [375.9080]
_cell_formula_units_Z [6]
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  0.0109  0.2500  0.0794  1.0
  Li  Li1  2  0.1244  0.7500  0.5378  1.0
  Li  Li2  2  0.3720  0.2500  0.1991  1.0
  Ce  Ce3  2  0.0500  0.7500  0.2871  1.0
  Ce  Ce4  2  0.3344  0.2500  0.9183  1.0
  Ce  Ce5  2  0.4547  0.2500  0.6254  1.0
  Pd  Pd6  2  0.2442  0.7500  0.7532  1.0
  Pd  Pd7  2  0.2551  0.2500  0.4164  1.0
  Pd  Pd8  2  0.2562  0.7500  0.0814  1.0
]