# generated using pymatgen
data_La7ThS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11751733
_cell_length_b   10.89194621
_cell_length_c   11.13419307
_cell_angle_alpha   89.85979334
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7ThS12
_chemical_formula_sum   'La7 Th1 S12'
_cell_volume   499.34231619
_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  0.00759164  0.31073118  1.0
  La  La1  1  0.75000000  0.99424344  0.69133920  1.0
  La  La2  1  0.75000000  0.50545988  0.19016035  1.0
  La  La3  1  0.25000000  0.49293447  0.80923367  1.0
  La  La4  1  0.25000000  0.68623028  0.49222709  1.0
  La  La5  1  0.75000000  0.31386684  0.50845341  1.0
  La  La6  1  0.75000000  0.18720126  0.00833828  1.0
  Th  Th7  1  0.25000000  0.81358790  0.99112822  1.0
  S  S8  1  0.25000000  0.05072302  0.88200811  1.0
  S  S9  1  0.75000000  0.94072949  0.11800760  1.0
  S  S10  1  0.75000000  0.55537245  0.62174697  1.0
  S  S11  1  0.25000000  0.44713403  0.37779454  1.0
  S  S12  1  0.25000000  0.12689276  0.54778033  1.0
  S  S13  1  0.75000000  0.87166237  0.45299234  1.0
  S  S14  1  0.75000000  0.63441924  0.95262491  1.0
  S  S15  1  0.25000000  0.37489324  0.04643699  1.0
  S  S16  1  0.25000000  0.70265731  0.22224951  1.0
  S  S17  1  0.75000000  0.29763200  0.77154149  1.0
  S  S18  1  0.75000000  0.19971379  0.26990341  1.0
  S  S19  1  0.25000000  0.79705260  0.73530339  1.0