# generated using pymatgen
data_La2Nd5ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51426181
_cell_length_b   4.19007251
_cell_length_c   11.25213955
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.80668306
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Nd5ThSe12
_chemical_formula_sum   'La2 Nd5 Th1 Se12'
_cell_volume   542.86304285
_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
  La  La0  1  0.30849550  0.25000000  0.51058801  1.0
  La  La1  1  0.80506744  0.25000000  0.00060006  1.0
  Nd  Nd2  1  0.48782586  0.25000000  0.18807302  1.0
  Nd  Nd3  1  0.98799572  0.25000000  0.31598243  1.0
  Nd  Nd4  1  0.51585102  0.75000000  0.81139018  1.0
  Nd  Nd5  1  0.00814116  0.75000000  0.68424439  1.0
  Nd  Nd6  1  0.69227003  0.75000000  0.49371867  1.0
  Th  Th7  1  0.19301528  0.75000000  0.99574916  1.0
  Se  Se8  1  0.54885065  0.25000000  0.62758579  1.0
  Se  Se9  1  0.04822934  0.25000000  0.87337222  1.0
  Se  Se10  1  0.45269270  0.75000000  0.37310780  1.0
  Se  Se11  1  0.96128953  0.75000000  0.12702070  1.0
  Se  Se12  1  0.61617956  0.75000000  0.05531293  1.0
  Se  Se13  1  0.12176846  0.75000000  0.44415001  1.0
  Se  Se14  1  0.38025222  0.25000000  0.94486183  1.0
  Se  Se15  1  0.87702015  0.25000000  0.55519882  1.0
  Se  Se16  1  0.72919269  0.25000000  0.29704316  1.0
  Se  Se17  1  0.22373613  0.25000000  0.18954967  1.0
  Se  Se18  1  0.26828305  0.75000000  0.71076774  1.0
  Se  Se19  1  0.77384452  0.75000000  0.80168442  1.0