# generated using pymatgen
data_La7ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99147941
_cell_length_b   4.27266962
_cell_length_c   16.48436665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.39725277
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7ThSe12
_chemical_formula_sum   'La7 Th1 Se12'
_cell_volume   562.84436758
_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  0.12576833  0.00000000  0.20860657  1.0
  La  La1  1  0.63107021  0.00000000  0.29493036  1.0
  La  La2  1  0.23422150  0.50000000  0.45580143  1.0
  La  La3  1  0.76215166  0.00000000  0.54404833  1.0
  La  La4  1  0.36414508  0.50000000  0.70536827  1.0
  La  La5  1  0.86870745  0.50000000  0.79237319  1.0
  La  La6  1  0.26483700  0.00000000  0.95799029  1.0
  Th  Th7  1  0.74389716  0.50000000  0.04116884  1.0
  Se  Se8  1  0.12297243  0.50000000  0.06877629  1.0
  Se  Se9  1  0.52214432  0.00000000  0.10394516  1.0
  Se  Se10  1  0.84117738  0.50000000  0.21665205  1.0
  Se  Se11  1  0.34825695  0.50000000  0.27752906  1.0
  Se  Se12  1  0.00411761  0.00000000  0.38983422  1.0
  Se  Se13  1  0.62368381  0.50000000  0.43179992  1.0
  Se  Se14  1  0.37314194  0.00000000  0.56770345  1.0
  Se  Se15  1  0.99226447  0.50000000  0.60899176  1.0
  Se  Se16  1  0.64960486  0.00000000  0.72141364  1.0
  Se  Se17  1  0.15433342  0.00000000  0.78218298  1.0
  Se  Se18  1  0.49952769  0.50000000  0.89774428  1.0
  Se  Se19  1  0.87397975  0.00000000  0.93313993  1.0