# generated using pymatgen
data_La3Th5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02288753
_cell_length_b   10.84767439
_cell_length_c   10.99407099
_cell_angle_alpha   90.00925949
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Th5S12
_chemical_formula_sum   'La3 Th5 S12'
_cell_volume   479.76997198
_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  0.00727065  0.31006428  1.0
  La  La1  1  0.75000000  0.98532190  0.69509231  1.0
  La  La2  1  0.75000000  0.50553770  0.19235450  1.0
  Th  Th3  1  0.25000000  0.49620797  0.80352490  1.0
  Th  Th4  1  0.25000000  0.68555148  0.48529924  1.0
  Th  Th5  1  0.75000000  0.31531836  0.51716741  1.0
  Th  Th6  1  0.75000000  0.18513583  0.01428094  1.0
  Th  Th7  1  0.25000000  0.81373087  0.98504505  1.0
  S  S8  1  0.25000000  0.05588779  0.87966814  1.0
  S  S9  1  0.75000000  0.94641258  0.11927327  1.0
  S  S10  1  0.75000000  0.55554449  0.62105201  1.0
  S  S11  1  0.25000000  0.44499172  0.38167026  1.0
  S  S12  1  0.25000000  0.13029805  0.55233821  1.0
  S  S13  1  0.75000000  0.86947142  0.45121387  1.0
  S  S14  1  0.75000000  0.62567493  0.94610024  1.0
  S  S15  1  0.25000000  0.37300969  0.04283104  1.0
  S  S16  1  0.25000000  0.70540665  0.22370878  1.0
  S  S17  1  0.75000000  0.30380157  0.77993298  1.0
  S  S18  1  0.75000000  0.20877863  0.27342584  1.0
  S  S19  1  0.25000000  0.78664772  0.72595672  1.0