data_[Li4Pr12Pd12]
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 [C2/m]
_cell_length_a [7.8396]
_cell_length_b [11.3519]
_cell_length_c [7.6494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PrPd)3]
_chemical_formula_sum '[Li4 Pr12 Pd12]'
_cell_volume [676.9525]
_cell_formula_units_Z [4]
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  4  0.2242  0.5000  0.9704  1
  Pr  Pr1  4  0.0000  0.1879  0.5000  1
  Pr  Pr2  4  0.0000  0.2301  0.0000  1
  Pr  Pr3  4  0.1399  0.5000  0.3462  1
  Pd  Pd4  8  0.2008  0.3639  0.7147  1
  Pd  Pd5  4  0.0113  0.0000  0.7932  1
]