# generated using pymatgen
data_La12Sn3HgI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25415990
_cell_length_b   11.26118338
_cell_length_c   11.26118235
_cell_angle_alpha   109.48385254
_cell_angle_beta   109.45858440
_cell_angle_gamma   109.45858829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Sn3HgI12
_chemical_formula_sum   'La12 Sn3 Hg1 I12'
_cell_volume   1098.82087723
_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  0.47918954  0.49222632  0.23809008  1.0
  La  La1  1  0.75000000  0.24141219  0.25858781  1.0
  La  La2  1  0.75000000  0.00889239  0.49110761  1.0
  La  La3  1  0.24110761  0.48221222  0.49110761  1.0
  La  La4  1  0.25890055  0.74586376  0.23809008  1.0
  La  La5  1  0.02081046  0.26190992  0.00777368  1.0
  La  La6  1  0.00858781  0.01717662  0.25858781  1.0
  La  La7  1  0.48696421  0.74586376  0.00777368  1.0
  La  La8  1  0.49141219  0.24141219  0.48282338  1.0
  La  La9  1  0.01303579  0.49222632  0.75413624  1.0
  La  La10  1  0.25889239  0.00889239  0.01778778  1.0
  La  La11  1  0.24109945  0.26190992  0.75413624  1.0
  Sn  Sn12  1  0.25000000  0.24991321  0.25008679  1.0
  Sn  Sn13  1  0.50008679  0.00017259  0.25008679  1.0
  Sn  Sn14  1  0.99991321  0.24991321  0.49982741  1.0
  Hg  Hg15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75678652  0.74321348  1.0
  I  I17  1  0.51292582  0.50639564  0.75642997  1.0
  I  I18  1  0.98707418  0.74357003  0.99360436  1.0
  I  I19  1  0.74350516  0.25003433  0.75642997  1.0
  I  I20  1  0.99321348  0.98642497  0.74321348  1.0
  I  I21  1  0.25000000  0.99473309  0.50526691  1.0
  I  I22  1  0.75526691  0.51053582  0.50526691  1.0
  I  I23  1  0.50652818  0.25003433  0.99360436  1.0
  I  I24  1  0.75649484  0.74357003  0.24996567  1.0
  I  I25  1  0.74473309  0.99473309  0.98946418  1.0
  I  I26  1  0.99347182  0.50639564  0.24996567  1.0
  I  I27  1  0.50678652  0.75678652  0.51357503  1.0