# generated using pymatgen
data_La3Sm2(ThSe4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19341293
_cell_length_b   11.20475977
_cell_length_c   11.44583902
_cell_angle_alpha   90.73660365
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Sm2(ThSe4)3
_chemical_formula_sum   'La3 Sm2 Th3 Se12'
_cell_volume   537.75186110
_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  0.25000000  0.99860715  0.69477684  1.0
  La  La1  1  0.75000000  0.00397881  0.30498409  1.0
  La  La2  1  0.75000000  0.49635157  0.80683972  1.0
  Sm  Sm3  1  0.75000000  0.81498102  0.98618977  1.0
  Sm  Sm4  1  0.25000000  0.18678074  0.01262349  1.0
  Th  Th5  1  0.25000000  0.50299822  0.19496806  1.0
  Th  Th6  1  0.25000000  0.31408767  0.51330563  1.0
  Th  Th7  1  0.75000000  0.68483412  0.48485895  1.0
  Se  Se8  1  0.75000000  0.05527309  0.88430009  1.0
  Se  Se9  1  0.25000000  0.94533388  0.11682640  1.0
  Se  Se10  1  0.25000000  0.55762500  0.61903666  1.0
  Se  Se11  1  0.75000000  0.44193163  0.37787733  1.0
  Se  Se12  1  0.25000000  0.86991197  0.45104230  1.0
  Se  Se13  1  0.75000000  0.12957060  0.54670514  1.0
  Se  Se14  1  0.75000000  0.37280273  0.05002817  1.0
  Se  Se15  1  0.25000000  0.62858855  0.96028402  1.0
  Se  Se16  1  0.25000000  0.29658238  0.77223698  1.0
  Se  Se17  1  0.75000000  0.69675815  0.22406750  1.0
  Se  Se18  1  0.75000000  0.79478719  0.72752789  1.0
  Se  Se19  1  0.25000000  0.20821554  0.27152197  1.0