# generated using pymatgen
data_La(ThSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17661301
_cell_length_b   11.69866356
_cell_length_c   11.69860370
_cell_angle_alpha   120.00039755
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(ThSe2)6
_chemical_formula_sum   'La1 Th6 Se12'
_cell_volume   495.02075616
_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  0.75000000  0.99997546  0.99999328  1.0
  Th  Th1  1  0.75000000  0.72063591  0.56462589  1.0
  Th  Th2  1  0.75000000  0.43537899  0.15603564  1.0
  Th  Th3  1  0.75000000  0.84396144  0.27933315  1.0
  Th  Th4  1  0.25000000  0.28663269  0.44337086  1.0
  Th  Th5  1  0.25000000  0.55668020  0.84326121  1.0
  Th  Th6  1  0.25000000  0.15676669  0.71341713  1.0
  Se  Se7  1  0.75000000  0.00691013  0.74966544  1.0
  Se  Se8  1  0.75000000  0.25032612  0.25723549  1.0
  Se  Se9  1  0.75000000  0.74277565  0.99309088  1.0
  Se  Se10  1  0.25000000  0.99379394  0.21668525  1.0
  Se  Se11  1  0.25000000  0.78329075  0.77710951  1.0
  Se  Se12  1  0.25000000  0.22288351  0.00619218  1.0
  Se  Se13  1  0.75000000  0.37499917  0.86249996  1.0
  Se  Se14  1  0.75000000  0.13751114  0.51252920  1.0
  Se  Se15  1  0.75000000  0.48746883  0.62495144  1.0
  Se  Se16  1  0.25000000  0.61431903  0.13861614  1.0
  Se  Se17  1  0.25000000  0.86139943  0.47570212  1.0
  Se  Se18  1  0.25000000  0.52429093  0.38568522  1.0