# generated using pymatgen
data_LaThS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07792743
_cell_length_b   10.75590547
_cell_length_c   11.01740399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaThS3
_chemical_formula_sum   'La4 Th4 S12'
_cell_volume   483.24319197
_cell_formula_units_Z   4
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  0.00546625  0.30765199  1.0
  La  La1  1  0.75000000  0.99453375  0.69234801  1.0
  La  La2  1  0.75000000  0.50546625  0.19234801  1.0
  La  La3  1  0.25000000  0.49453275  0.80765199  1.0
  Th  Th4  1  0.25000000  0.68584893  0.48776325  1.0
  Th  Th5  1  0.75000000  0.31415107  0.51223675  1.0
  Th  Th6  1  0.75000000  0.18584893  0.01223675  1.0
  Th  Th7  1  0.25000000  0.81415107  0.98776325  1.0
  S  S8  1  0.25000000  0.05564093  0.88144192  1.0
  S  S9  1  0.75000000  0.94435907  0.11855808  1.0
  S  S10  1  0.75000000  0.55564093  0.61855808  1.0
  S  S11  1  0.25000000  0.44435907  0.38144192  1.0
  S  S12  1  0.25000000  0.13128966  0.54753558  1.0
  S  S13  1  0.75000000  0.86871034  0.45246442  1.0
  S  S14  1  0.75000000  0.63128966  0.95246442  1.0
  S  S15  1  0.25000000  0.36871034  0.04753558  1.0
  S  S16  1  0.25000000  0.70666461  0.22723992  1.0
  S  S17  1  0.75000000  0.29333539  0.77276008  1.0
  S  S18  1  0.75000000  0.20666461  0.27276008  1.0
  S  S19  1  0.25000000  0.79333539  0.72723992  1.0