# generated using pymatgen
data_Nd(ThSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.37352570
_cell_length_b   4.06823294
_cell_length_c   11.48628926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(ThSe2)3
_chemical_formula_sum   'Nd2 Th6 Se12'
_cell_volume   531.47234891
_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  0.47574320  0.25000000  0.18488753  1.0
  Nd  Nd1  1  0.97574320  0.25000000  0.31511247  1.0
  Th  Th2  1  0.52387116  0.75000000  0.81744052  1.0
  Th  Th3  1  0.02387116  0.75000000  0.68255948  1.0
  Th  Th4  1  0.69527800  0.75000000  0.48625235  1.0
  Th  Th5  1  0.19527800  0.75000000  0.01374765  1.0
  Th  Th6  1  0.30303373  0.25000000  0.50985221  1.0
  Th  Th7  1  0.80303373  0.25000000  0.99014779  1.0
  Se  Se8  1  0.55255365  0.25000000  0.62491256  1.0
  Se  Se9  1  0.05255365  0.25000000  0.87508744  1.0
  Se  Se10  1  0.44776835  0.75000000  0.37896775  1.0
  Se  Se11  1  0.94776835  0.75000000  0.12103225  1.0
  Se  Se12  1  0.62326038  0.75000000  0.05610071  1.0
  Se  Se13  1  0.12326038  0.75000000  0.44389929  1.0
  Se  Se14  1  0.37788482  0.25000000  0.94317500  1.0
  Se  Se15  1  0.87788482  0.25000000  0.55682500  1.0
  Se  Se16  1  0.71559374  0.25000000  0.29997837  1.0
  Se  Se17  1  0.21559374  0.25000000  0.20002163  1.0
  Se  Se18  1  0.28501398  0.75000000  0.70103767  1.0
  Se  Se19  1  0.78501398  0.75000000  0.79896233  1.0