# generated using pymatgen
data_Y3ThS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94082122
_cell_length_b   11.05202864
_cell_length_c   11.35095947
_cell_angle_alpha   71.84010929
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThS6
_chemical_formula_sum   'Y6 Th2 S12'
_cell_volume   469.75561013
_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
  Y  Y0  1  0.75000000  0.67910938  0.99883092  1.0
  Y  Y1  1  0.25000000  0.32089062  0.00116908  1.0
  Y  Y2  1  0.75000000  0.16179014  0.41746667  1.0
  Y  Y3  1  0.25000000  0.83820986  0.58253333  1.0
  Y  Y4  1  0.75000000  0.43401897  0.66624623  1.0
  Y  Y5  1  0.25000000  0.56598103  0.33375377  1.0
  Th  Th6  1  0.75000000  0.04820803  0.80454711  1.0
  Th  Th7  1  0.25000000  0.95179197  0.19545289  1.0
  S  S8  1  0.75000000  0.39560523  0.43859667  1.0
  S  S9  1  0.25000000  0.60439477  0.56140333  1.0
  S  S10  1  0.75000000  0.80924942  0.75124777  1.0
  S  S11  1  0.25000000  0.19075058  0.24875223  1.0
  S  S12  1  0.75000000  0.47946306  0.88533166  1.0
  S  S13  1  0.25000000  0.52053694  0.11466834  1.0
  S  S14  1  0.75000000  0.11659696  0.03447172  1.0
  S  S15  1  0.25000000  0.88340304  0.96552828  1.0
  S  S16  1  0.75000000  0.74058063  0.22672782  1.0
  S  S17  1  0.25000000  0.25941937  0.77327218  1.0
  S  S18  1  0.75000000  0.91801488  0.40495862  1.0
  S  S19  1  0.25000000  0.08198512  0.59504138  1.0