data_[Li6Pr2Pd3]
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 [P-62m]
_cell_length_a [7.8647]
_cell_length_b [7.8647]
_cell_length_c [4.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li6Pr2Pd3]
_chemical_formula_sum '[Li6 Pr2 Pd3]'
_cell_volume [216.3723]
_cell_formula_units_Z [1]
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  3  0.0000  0.2085  0.0000  1.0
  Li  Li1  3  0.0000  0.7443  0.5000  1.0
  Pr  Pr2  2  0.3333  0.6667  0.0000  1.0
  Pd  Pd3  3  0.0000  0.4084  0.5000  1.0
]