# generated using pymatgen
data_NdTh9(Sn3Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50327066
_cell_length_b   9.51930322
_cell_length_c   6.70227730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05582098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh9(Sn3Se)2
_chemical_formula_sum   'Nd1 Th9 Sn6 Se2'
_cell_volume   524.79141549
_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
  Nd  Nd0  1  1.00000000  0.73739370  0.75000000  1.0
  Th  Th1  1  0.26417404  0.26402844  0.75000000  1.0
  Th  Th2  1  0.33462475  0.66624073  0.49896770  1.0
  Th  Th3  1  0.66537525  0.33161498  0.49896770  1.0
  Th  Th4  1  0.73726723  0.73704082  0.25000000  1.0
  Th  Th5  1  0.73582596  0.99985440  0.75000000  1.0
  Th  Th6  1  0.00000000  0.26411338  0.25000000  1.0
  Th  Th7  1  0.26273277  0.99977359  0.25000000  1.0
  Th  Th8  1  0.33462475  0.66624073  0.00103230  1.0
  Th  Th9  1  0.66537525  0.33161498  0.00103230  1.0
  Sn  Sn10  1  0.61193225  0.61062163  0.75000000  1.0
  Sn  Sn11  1  1.00000000  0.39007939  0.75000000  1.0
  Sn  Sn12  1  0.38806775  0.99868938  0.75000000  1.0
  Sn  Sn13  1  0.61078083  0.99973359  0.25000000  1.0
  Sn  Sn14  1  0.38921917  0.38895276  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.61083162  0.25000000  1.0
  Se  Se16  1  1.00000000  0.00158843  0.00026988  1.0
  Se  Se17  1  1.00000000  0.00158843  0.49973012  1.0