# generated using pymatgen
data_Nd3ThSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.46685056
_cell_length_b   4.13205905
_cell_length_c   11.26582948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ThSe6
_chemical_formula_sum   'Nd6 Th2 Se12'
_cell_volume   533.79419418
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.48458002  0.25000000  0.18561401  1.0
  Nd  Nd1  1  0.98458002  0.25000000  0.31438599  1.0
  Nd  Nd2  1  0.51363145  0.75000000  0.81273680  1.0
  Nd  Nd3  1  0.01363145  0.75000000  0.68726320  1.0
  Nd  Nd4  1  0.69400295  0.75000000  0.49214416  1.0
  Nd  Nd5  1  0.19400295  0.75000000  0.00785584  1.0
  Th  Th6  1  0.30840631  0.25000000  0.49782863  1.0
  Th  Th7  1  0.80840631  0.25000000  0.00217137  1.0
  Se  Se8  1  0.54587233  0.25000000  0.62324566  1.0
  Se  Se9  1  0.04587233  0.25000000  0.87675434  1.0
  Se  Se10  1  0.45160040  0.75000000  0.37342518  1.0
  Se  Se11  1  0.95160040  0.75000000  0.12657482  1.0
  Se  Se12  1  0.62129688  0.75000000  0.05372899  1.0
  Se  Se13  1  0.12129688  0.75000000  0.44627101  1.0
  Se  Se14  1  0.37765136  0.25000000  0.94462084  1.0
  Se  Se15  1  0.87765136  0.25000000  0.55537916  1.0
  Se  Se16  1  0.72622340  0.25000000  0.29449470  1.0
  Se  Se17  1  0.22622340  0.25000000  0.20550530  1.0
  Se  Se18  1  0.27673490  0.75000000  0.69357290  1.0
  Se  Se19  1  0.77673490  0.75000000  0.80642710  1.0