# generated using pymatgen
data_Y8C3SI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86055771
_cell_length_b   11.34036567
_cell_length_c   21.51137932
_cell_angle_alpha   91.92468536
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8C3SI6
_chemical_formula_sum   'Y16 C6 S2 I12'
_cell_volume   941.23980290
_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  0.25000000  0.88172155  0.58603279  1.0
  Y  Y1  1  0.75000000  0.11827845  0.41396721  1.0
  Y  Y2  1  0.75000000  0.63347171  0.08930494  1.0
  Y  Y3  1  0.25000000  0.36652829  0.91069506  1.0
  Y  Y4  1  0.25000000  0.90099797  0.73844656  1.0
  Y  Y5  1  0.75000000  0.09900203  0.26155344  1.0
  Y  Y6  1  0.75000000  0.64950846  0.24075467  1.0
  Y  Y7  1  0.25000000  0.35049154  0.75924533  1.0
  Y  Y8  1  0.25000000  0.85898993  0.17376918  1.0
  Y  Y9  1  0.75000000  0.14101007  0.82623082  1.0
  Y  Y10  1  0.75000000  0.66721754  0.66460606  1.0
  Y  Y11  1  0.25000000  0.33278246  0.33539394  1.0
  Y  Y12  1  0.25000000  0.89130728  0.32741698  1.0
  Y  Y13  1  0.75000000  0.10869272  0.67258302  1.0
  Y  Y14  1  0.75000000  0.58187837  0.83445239  1.0
  Y  Y15  1  0.25000000  0.41812163  0.16554761  1.0
  C  C16  1  0.75000000  0.87460543  0.25210594  1.0
  C  C17  1  0.25000000  0.12539457  0.74789406  1.0
  C  C18  1  0.25000000  0.63327320  0.15997017  1.0
  C  C19  1  0.75000000  0.36672680  0.84002983  1.0
  C  C20  1  0.75000000  0.88285646  0.65733507  1.0
  C  C21  1  0.25000000  0.11714354  0.34266493  1.0
  S  S22  1  0.25000000  0.62423055  0.74966954  1.0
  S  S23  1  0.75000000  0.37576945  0.25033046  1.0
  I  I24  1  0.25000000  0.62039936  0.55301645  1.0
  I  I25  1  0.75000000  0.37960064  0.44698355  1.0
  I  I26  1  0.75000000  0.88535618  0.05668694  1.0
  I  I27  1  0.25000000  0.11464382  0.94331306  1.0
  I  I28  1  0.25000000  0.62970457  0.95338352  1.0
  I  I29  1  0.75000000  0.37029543  0.04661648  1.0
  I  I30  1  0.75000000  0.86273939  0.45393126  1.0
  I  I31  1  0.25000000  0.13726061  0.54606874  1.0
  I  I32  1  0.25000000  0.62033491  0.35412649  1.0
  I  I33  1  0.75000000  0.37966509  0.64587351  1.0
  I  I34  1  0.75000000  0.86605038  0.85167031  1.0
  I  I35  1  0.25000000  0.13394962  0.14832969  1.0