data_[Li3Pr3Y6Pd12]
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
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9025]
_cell_length_b [4.9025]
_cell_length_c [24.3508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiPr(YPd2)2]
_chemical_formula_sum '[Li3 Pr3 Y6 Pd12]'
_cell_volume [506.8571]
_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  3  -0.0000  -0.0000  0.5000  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Y  Y2  6  0.0000  0.0000  0.2390  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1219  1.0
  Pd  Pd4  6  0.0000  0.0000  0.3853  1.0
]