# generated using pymatgen
data_NdSm(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10473535
_cell_length_b   11.30659956
_cell_length_c   11.37053160
_cell_angle_alpha   91.18441166
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSm(ThSe3)2
_chemical_formula_sum   'Nd2 Sm2 Th4 Se12'
_cell_volume   527.60043275
_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  0.25000000  0.99292167  0.69489853  1.0
  Nd  Nd1  1  0.75000000  0.00707833  0.30510147  1.0
  Sm  Sm2  1  0.75000000  0.81525140  0.98253486  1.0
  Sm  Sm3  1  0.25000000  0.18474860  0.01746514  1.0
  Th  Th4  1  0.75000000  0.49294778  0.80346177  1.0
  Th  Th5  1  0.25000000  0.50705222  0.19653823  1.0
  Th  Th6  1  0.25000000  0.31191971  0.51978902  1.0
  Th  Th7  1  0.75000000  0.68808029  0.48021098  1.0
  Se  Se8  1  0.75000000  0.05344878  0.88118292  1.0
  Se  Se9  1  0.25000000  0.94655122  0.11881708  1.0
  Se  Se10  1  0.25000000  0.55582561  0.62086551  1.0
  Se  Se11  1  0.75000000  0.44417439  0.37913449  1.0
  Se  Se12  1  0.25000000  0.87467430  0.44941188  1.0
  Se  Se13  1  0.75000000  0.12532570  0.55058812  1.0
  Se  Se14  1  0.75000000  0.37534256  0.04790433  1.0
  Se  Se15  1  0.25000000  0.62465744  0.95209567  1.0
  Se  Se16  1  0.25000000  0.30114870  0.78184891  1.0
  Se  Se17  1  0.75000000  0.69885130  0.21815109  1.0
  Se  Se18  1  0.75000000  0.79479538  0.72365016  1.0
  Se  Se19  1  0.25000000  0.20520462  0.27634984  1.0