# generated using pymatgen
data_ScCo4Si3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66818128
_cell_length_b   10.30509465
_cell_length_c   11.74284417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo4Si3Ru
_chemical_formula_sum   'Sc4 Co16 Si12 Ru4'
_cell_volume   443.89072658
_cell_formula_units_Z   4
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  0.25000000  0.58055339  0.70339722  1.0
  Sc  Sc1  1  0.25000000  0.91944661  0.20339722  1.0
  Sc  Sc2  1  0.75000000  0.41944661  0.29660278  1.0
  Sc  Sc3  1  0.75000000  0.08055339  0.79660278  1.0
  Co  Co4  1  0.25000000  0.40765668  0.48936129  1.0
  Co  Co5  1  0.25000000  0.09234332  0.98936129  1.0
  Co  Co6  1  0.75000000  0.59234332  0.51063871  1.0
  Co  Co7  1  0.75000000  0.90765668  0.01063871  1.0
  Co  Co8  1  0.25000000  0.21373726  0.17501725  1.0
  Co  Co9  1  0.25000000  0.28626374  0.67501725  1.0
  Co  Co10  1  0.75000000  0.78626374  0.82498275  1.0
  Co  Co11  1  0.75000000  0.71373626  0.32498275  1.0
  Co  Co12  1  0.25000000  0.88520125  0.70059892  1.0
  Co  Co13  1  0.25000000  0.61479875  0.20059892  1.0
  Co  Co14  1  0.75000000  0.11479875  0.29940108  1.0
  Co  Co15  1  0.75000000  0.38520125  0.79940108  1.0
  Co  Co16  1  0.25000000  0.46808500  0.93065658  1.0
  Co  Co17  1  0.25000000  0.03191500  0.43065658  1.0
  Co  Co18  1  0.75000000  0.53191500  0.06934342  1.0
  Co  Co19  1  0.75000000  0.96808500  0.56934342  1.0
  Si  Si20  1  0.25000000  0.41622186  0.11503742  1.0
  Si  Si21  1  0.25000000  0.08377814  0.61503742  1.0
  Si  Si22  1  0.75000000  0.58377814  0.88496258  1.0
  Si  Si23  1  0.75000000  0.91622186  0.38496258  1.0
  Si  Si24  1  0.25000000  0.26663790  0.86601019  1.0
  Si  Si25  1  0.25000000  0.23336210  0.36601019  1.0
  Si  Si26  1  0.75000000  0.73336210  0.13398981  1.0
  Si  Si27  1  0.75000000  0.76663790  0.63398981  1.0
  Si  Si28  1  0.25000000  0.59654173  0.39131453  1.0
  Si  Si29  1  0.25000000  0.90345827  0.89131453  1.0
  Si  Si30  1  0.75000000  0.40345827  0.60868547  1.0
  Si  Si31  1  0.75000000  0.09654173  0.10868547  1.0
  Ru  Ru32  1  0.25000000  0.70570072  0.99052888  1.0
  Ru  Ru33  1  0.25000000  0.79429928  0.49052888  1.0
  Ru  Ru34  1  0.75000000  0.29429928  0.00947112  1.0
  Ru  Ru35  1  0.75000000  0.20570072  0.50947112  1.0