# generated using pymatgen
data_Li4Nd6PPd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32905165
_cell_length_b   8.32905129
_cell_length_c   8.32905209
_cell_angle_alpha   109.47122258
_cell_angle_beta   109.47122171
_cell_angle_gamma   109.47122043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Nd6PPd12
_chemical_formula_sum   'Li4 Nd6 P1 Pd12'
_cell_volume   444.79998562
_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  1  0.00000000  0.00000000  0.50000000  1.0
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1.0
  Li  Li2  1  0.50000000  0.00000000  0.00000000  1.0
  Li  Li3  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd4  1  0.69476025  0.69476025  1.00000000  1.0
  Nd  Nd5  1  0.30523975  0.00000000  0.30523975  1.0
  Nd  Nd6  1  0.00000000  0.30523975  0.30523975  1.0
  Nd  Nd7  1  0.30523975  0.30523975  0.00000000  1.0
  Nd  Nd8  1  0.69476025  0.00000000  0.69476025  1.0
  Nd  Nd9  1  1.00000000  0.69476025  0.69476025  1.0
  P  P10  1  0.00000000  0.00000000  0.00000000  1.0
  Pd  Pd11  1  0.33412671  0.33412671  0.66825243  1.0
  Pd  Pd12  1  0.66587329  0.00000000  0.33412671  1.0
  Pd  Pd13  1  1.00000000  0.66587329  0.33412671  1.0
  Pd  Pd14  1  0.66587329  0.33412671  0.00000000  1.0
  Pd  Pd15  1  0.33412671  0.66825243  0.33412671  1.0
  Pd  Pd16  1  0.00000000  0.33412671  0.66587329  1.0
  Pd  Pd17  1  0.33412671  0.66587329  1.00000000  1.0
  Pd  Pd18  1  0.33412671  0.00000000  0.66587329  1.0
  Pd  Pd19  1  0.66825243  0.33412671  0.33412671  1.0
  Pd  Pd20  1  0.66587329  0.66587329  0.33174757  1.0
  Pd  Pd21  1  0.66587329  0.33174757  0.66587329  1.0
  Pd  Pd22  1  0.33174757  0.66587329  0.66587329  1.0