# generated using pymatgen
data_Sc2Si7(NiRu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40631142
_cell_length_b   9.40631058
_cell_length_c   3.75584845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Si7(NiRu3)3
_chemical_formula_sum   'Sc2 Si7 Ni3 Ru9'
_cell_volume   287.79110141
_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  0.66666700  0.33333300  0.50000000  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.00000000  1.0
  Si  Si2  1  0.60391939  0.71106735  0.50000000  1.0
  Si  Si3  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si4  1  0.28893265  0.89285204  0.50000000  1.0
  Si  Si5  1  0.10714796  0.39608061  0.50000000  1.0
  Si  Si6  1  0.88940772  0.59507808  0.00000000  1.0
  Si  Si7  1  0.40492192  0.29432964  0.00000000  1.0
  Si  Si8  1  0.70567036  0.11059228  0.00000000  1.0
  Ni  Ni9  1  0.72628780  0.87723639  0.00000000  1.0
  Ni  Ni10  1  0.12276361  0.84905042  0.00000000  1.0
  Ni  Ni11  1  0.15094958  0.27371220  0.00000000  1.0
  Ru  Ru12  1  0.56281767  0.93985546  0.50000000  1.0
  Ru  Ru13  1  0.37704080  0.43718233  0.50000000  1.0
  Ru  Ru14  1  0.90363555  0.10850595  0.50000000  1.0
  Ru  Ru15  1  0.20487039  0.09636445  0.50000000  1.0
  Ru  Ru16  1  0.89149405  0.79512961  0.50000000  1.0
  Ru  Ru17  1  0.43028188  0.06077661  0.00000000  1.0
  Ru  Ru18  1  0.93922339  0.36950627  0.00000000  1.0
  Ru  Ru19  1  0.63049373  0.56971812  0.00000000  1.0
  Ru  Ru20  1  0.06014454  0.62295920  0.50000000  1.0