# generated using pymatgen
data_Sm12Ga(SiI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.68604844
_cell_length_b   10.68604948
_cell_length_c   10.68604874
_cell_angle_alpha   109.52607881
_cell_angle_beta   109.52608300
_cell_angle_gamma   109.52608307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12Ga(SiI4)3
_chemical_formula_sum   'Sm12 Ga1 Si3 I12'
_cell_volume   937.44178039
_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  0.46663274  0.48507164  0.23198497  1.0
  Sm  Sm1  1  0.75000000  0.23201482  0.26798518  1.0
  Sm  Sm2  1  0.75000000  0.01713477  0.48286523  1.0
  Sm  Sm3  1  0.23198497  0.46663274  0.48507164  1.0
  Sm  Sm4  1  0.26798518  0.75000000  0.23201482  1.0
  Sm  Sm5  1  0.03336726  0.26801503  0.01492836  1.0
  Sm  Sm6  1  0.01492836  0.03336726  0.26801503  1.0
  Sm  Sm7  1  0.48286523  0.75000000  0.01713477  1.0
  Sm  Sm8  1  0.48507164  0.23198497  0.46663274  1.0
  Sm  Sm9  1  0.01713477  0.48286523  0.75000000  1.0
  Sm  Sm10  1  0.26801503  0.01492836  0.03336726  1.0
  Sm  Sm11  1  0.23201482  0.26798518  0.75000000  1.0
  Ga  Ga12  1  0.25000000  0.25000000  0.25000000  1.0
  Si  Si13  1  0.50042177  0.99957823  0.25000000  1.0
  Si  Si14  1  0.99957823  0.25000000  0.50042177  1.0
  Si  Si15  1  0.25000000  0.50042177  0.99957823  1.0
  I  I16  1  0.25000000  0.75713835  0.74286165  1.0
  I  I17  1  0.51422330  0.50714584  0.75746034  1.0
  I  I18  1  0.98577670  0.74253966  0.99285416  1.0
  I  I19  1  0.74286165  0.25000000  0.75713835  1.0
  I  I20  1  0.99285416  0.98577670  0.74253966  1.0
  I  I21  1  0.25000000  0.99281650  0.50718350  1.0
  I  I22  1  0.75746034  0.51422330  0.50714584  1.0
  I  I23  1  0.50718350  0.25000000  0.99281650  1.0
  I  I24  1  0.75713835  0.74286165  0.25000000  1.0
  I  I25  1  0.74253966  0.99285416  0.98577670  1.0
  I  I26  1  0.99281650  0.50718350  0.25000000  1.0
  I  I27  1  0.50714584  0.75746034  0.51422330  1.0