# generated using pymatgen
data_Sc12Ga(RuI8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19066451
_cell_length_b   11.80771814
_cell_length_c   12.44421692
_cell_angle_alpha   117.20041252
_cell_angle_beta   101.25796379
_cell_angle_gamma   100.91610584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Ga(RuI8)2
_chemical_formula_sum   'Sc12 Ga1 Ru2 I16'
_cell_volume   1116.29880347
_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
  Sc  Sc0  1  0.09909622  0.26407711  0.35461397  1.0
  Sc  Sc1  1  0.90090378  0.73592289  0.64538603  1.0
  Sc  Sc2  1  0.76715880  0.53495772  0.32467626  1.0
  Sc  Sc3  1  0.23284120  0.46504228  0.67532374  1.0
  Sc  Sc4  1  0.29066836  0.73657785  0.64545637  1.0
  Sc  Sc5  1  0.70933164  0.26342215  0.35454363  1.0
  Sc  Sc6  1  0.15770410  0.53605250  0.32521924  1.0
  Sc  Sc7  1  0.84229590  0.46394750  0.67478076  1.0
  Sc  Sc8  1  0.40733399  0.36061292  0.27755253  1.0
  Sc  Sc9  1  0.59266601  0.63938708  0.72244747  1.0
  Sc  Sc10  1  0.46026768  0.31655267  0.51999629  1.0
  Sc  Sc11  1  0.53973232  0.68344733  0.48000371  1.0
  Ga  Ga12  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru13  1  0.33685907  0.50059835  0.50006395  1.0
  Ru  Ru14  1  0.66314193  0.49940165  0.49993605  1.0
  I  I15  1  0.39416638  0.74547491  0.89135099  1.0
  I  I16  1  0.60583362  0.25452509  0.10864901  1.0
  I  I17  1  0.18800168  0.96645710  0.78489599  1.0
  I  I18  1  0.81199832  0.03354290  0.21510401  1.0
  I  I19  1  0.33069844  0.08842647  0.24678733  1.0
  I  I20  1  0.66930156  0.91157353  0.75321267  1.0
  I  I21  1  0.56390798  0.43794689  0.80510828  1.0
  I  I22  1  0.43609202  0.56205311  0.19489172  1.0
  I  I23  1  0.30719602  0.83262436  0.46386016  1.0
  I  I24  1  0.69280398  0.16737564  0.53613984  1.0
  I  I25  1  0.16379875  0.16982823  0.53720434  1.0
  I  I26  1  0.83620125  0.83017177  0.46279566  1.0
  I  I27  1  0.92746776  0.57428252  0.15853855  1.0
  I  I28  1  0.07253224  0.42571748  0.84146145  1.0
  I  I29  1  0.93133550  0.74385836  0.89115904  1.0
  I  I30  1  0.06866450  0.25614164  0.10884096  1.0