# generated using pymatgen
data_La12Au3I13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11823479
_cell_length_b   11.12493481
_cell_length_c   11.12296115
_cell_angle_alpha   109.57832612
_cell_angle_beta   109.60246083
_cell_angle_gamma   109.59803462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Au3I13
_chemical_formula_sum   'La12 Au3 I13'
_cell_volume   1054.28762050
_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  0.48321292  0.72913420  0.74141370  1.0
  La  La1  1  0.25887688  0.27077035  0.51687750  1.0
  La  La2  1  0.26488075  0.73563055  0.00042684  1.0
  La  La3  1  0.48190535  0.51769818  -0.00044405  1.0
  La  La4  1  0.00004241  0.48185456  0.51818128  1.0
  La  La5  1  0.73513002  -0.00032241  0.26455012  1.0
  La  La6  1  -0.00009315  0.26446113  0.73547236  1.0
  La  La7  1  0.51787881  0.00045742  0.48248555  1.0
  La  La8  1  0.73005088  0.74222645  0.48342008  1.0
  La  La9  1  0.26994918  0.51661501  0.25787002  1.0
  La  La10  1  0.51669709  0.25806348  0.27022719  1.0
  La  La11  1  0.74125783  0.48328739  0.72936722  1.0
  Au  Au12  1  0.49997392  0.74939419  0.25091946  1.0
  Au  Au13  1  0.25033166  0.49981480  0.74980718  1.0
  Au  Au14  1  0.74944833  0.25025670  0.50016017  1.0
  I  I15  1  0.75787333  0.00652920  0.76689172  1.0
  I  I16  1  0.99359659  0.24197756  0.23349586  1.0
  I  I17  1  0.76686921  0.75809055  0.00660659  1.0
  I  I18  1  0.23302156  0.99337632  0.24195473  1.0
  I  I19  1  0.98902086  0.50060378  0.01087164  1.0
  I  I20  1  0.49993683  0.24024844  0.75980621  1.0
  I  I21  1  0.75970805  0.50025397  0.24054618  1.0
  I  I22  1  0.50040094  0.01078522  0.98888715  1.0
  I  I23  1  0.24022687  0.75935086  0.49983478  1.0
  I  I24  1  0.01106467  0.98913604  0.49956054  1.0
  I  I25  1  0.24204887  0.23328797  0.99353682  1.0
  I  I26  1  0.00645295  0.76661529  0.75801469  1.0
  I  I27  1  0.50023838  0.50040279  0.49925747  1.0