# generated using pymatgen
data_Tb3ThSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21339147
_cell_length_b   4.05789042
_cell_length_c   11.00340044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ThSe6
_chemical_formula_sum   'Tb6 Th2 Se12'
_cell_volume   500.68458193
_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
  Tb  Tb0  1  0.48412282  0.25000000  0.18579720  1.0
  Tb  Tb1  1  0.98412282  0.25000000  0.31420280  1.0
  Tb  Tb2  1  0.51209029  0.75000000  0.81090777  1.0
  Tb  Tb3  1  0.01209029  0.75000000  0.68909223  1.0
  Tb  Tb4  1  0.69599374  0.75000000  0.49510478  1.0
  Tb  Tb5  1  0.19599374  0.75000000  0.00489522  1.0
  Th  Th6  1  0.30705585  0.25000000  0.49561982  1.0
  Th  Th7  1  0.80705585  0.25000000  0.00438018  1.0
  Se  Se8  1  0.54886470  0.25000000  0.62554838  1.0
  Se  Se9  1  0.04886470  0.25000000  0.87445162  1.0
  Se  Se10  1  0.45780409  0.75000000  0.37012855  1.0
  Se  Se11  1  0.95780409  0.75000000  0.12987145  1.0
  Se  Se12  1  0.61417210  0.75000000  0.05261970  1.0
  Se  Se13  1  0.11417210  0.75000000  0.44738030  1.0
  Se  Se14  1  0.37909686  0.25000000  0.94481754  1.0
  Se  Se15  1  0.87909686  0.25000000  0.55518246  1.0
  Se  Se16  1  0.72596643  0.25000000  0.29779463  1.0
  Se  Se17  1  0.22596643  0.25000000  0.20220537  1.0
  Se  Se18  1  0.27483412  0.75000000  0.69744743  1.0
  Se  Se19  1  0.77483412  0.75000000  0.80255257  1.0