# generated using pymatgen
data_Sm3Y9(SiI3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52018660
_cell_length_b   10.51747610
_cell_length_c   10.52658103
_cell_angle_alpha   109.63241863
_cell_angle_beta   109.41177043
_cell_angle_gamma   109.37665465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Y9(SiI3)4
_chemical_formula_sum   'Sm3 Y9 Si4 I12'
_cell_volume   896.52007092
_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
  Sm  Sm0  1  0.46600781  0.48300290  0.23300290  1.0
  Sm  Sm1  1  0.74917167  0.23286234  0.26707976  1.0
  Sm  Sm2  1  0.74917167  0.01630933  0.48209290  1.0
  Y  Y3  1  0.23059332  0.46190012  0.48077666  1.0
  Y  Y4  1  0.26926526  0.75023531  0.23108716  1.0
  Y  Y5  1  0.03823571  0.26911886  0.01911886  1.0
  Y  Y6  1  0.01837772  0.03786816  0.26901999  1.0
  Y  Y7  1  0.48098466  0.75020726  0.01951326  1.0
  Y  Y8  1  0.48098466  0.23077740  0.46147341  1.0
  Y  Y9  1  0.01837772  0.48050856  0.74935773  1.0
  Y  Y10  1  0.26926526  0.01902994  0.03817710  1.0
  Y  Y11  1  0.23059332  0.26869420  0.74981666  1.0
  Si  Si12  1  0.24850549  0.24880191  0.24977168  1.0
  Si  Si13  1  0.49758580  0.99879290  0.24879290  1.0
  Si  Si14  1  0.00182224  0.25091162  0.50091162  1.0
  Si  Si15  1  0.24850549  0.49970358  0.99873381  1.0
  I  I16  1  0.24982376  0.75548316  0.74426403  1.0
  I  I17  1  0.51124667  0.50562283  0.75562283  1.0
  I  I18  1  0.98878753  0.74439477  0.99439477  1.0
  I  I19  1  0.74431578  0.25528604  0.76075128  1.0
  I  I20  1  0.99721586  0.98663389  0.74539444  1.0
  I  I21  1  0.24982376  0.99434060  0.50555972  1.0
  I  I22  1  0.75877282  0.51648303  0.51483711  1.0
  I  I23  1  0.50112879  0.24393284  0.98533601  1.0
  I  I24  1  0.75877282  0.74229078  0.24393571  1.0
  I  I25  1  0.74431578  0.98902975  0.98356351  1.0
  I  I26  1  0.99721586  0.51058096  0.25182142  1.0
  I  I27  1  0.50112879  0.75719595  0.51579378  1.0