# generated using pymatgen
data_LiTh2NbPd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74513865
_cell_length_b   5.74513733
_cell_length_c   9.36520019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh2NbPd12
_chemical_formula_sum   'Li1 Th2 Nb1 Pd12'
_cell_volume   267.70015132
_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  0.33333300  0.66666700  0.25054616  1.0
  Th  Th1  1  0.00000000  0.00000000  0.01144539  1.0
  Th  Th2  1  0.66666700  0.33333300  0.74556693  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.49002774  1.0
  Pd  Pd4  1  0.49563197  0.50436803  0.49252653  1.0
  Pd  Pd5  1  0.49563197  0.99126295  0.49252653  1.0
  Pd  Pd6  1  0.00873705  0.50436803  0.49252653  1.0
  Pd  Pd7  1  0.49805007  0.50194993  0.00774524  1.0
  Pd  Pd8  1  0.49805007  0.99610014  0.00774524  1.0
  Pd  Pd9  1  0.00389986  0.50194993  0.00774524  1.0
  Pd  Pd10  1  0.82977384  0.65954869  0.25987167  1.0
  Pd  Pd11  1  0.34045131  0.17022616  0.25987167  1.0
  Pd  Pd12  1  0.82977384  0.17022616  0.25987167  1.0
  Pd  Pd13  1  0.16970957  0.33941915  0.74066081  1.0
  Pd  Pd14  1  0.66058085  0.83029043  0.74066081  1.0
  Pd  Pd15  1  0.16970957  0.83029043  0.74066081  1.0