data_[Li15Pr6Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9826]
_cell_length_b [8.9826]
_cell_length_c [13.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li5(PrPd6)2]
_chemical_formula_sum '[Li15 Pr6 Pd36]'
_cell_volume [952.7988]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Li  Li1  6  0.0000  0.0000  0.0895  1
  Pr  Pr2  6  0.0000  0.0000  0.3494  1
  Pd  Pd3  18  0.0000  0.3062  0.0000  1
  Pd  Pd4  18  0.0111  0.5055  0.8435  1
]