# generated using pymatgen
data_Sc3Si3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99848400
_cell_length_b   10.30937400
_cell_length_c   11.72848800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Si3Ru
_chemical_formula_sum   'Sc12 Si12 Ru4'
_cell_volume   483.47017232
_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  0.87685900  0.01873300  1.0
  Sc  Sc1  1  0.25000000  0.62314100  0.51873300  1.0
  Sc  Sc2  1  0.75000000  0.12314100  0.98126700  1.0
  Sc  Sc3  1  0.75000000  0.37685900  0.48126700  1.0
  Sc  Sc4  1  0.25000000  0.92223600  0.60437000  1.0
  Sc  Sc5  1  0.25000000  0.57776400  0.10437000  1.0
  Sc  Sc6  1  0.75000000  0.07776400  0.39563000  1.0
  Sc  Sc7  1  0.75000000  0.42223600  0.89563000  1.0
  Sc  Sc8  1  0.25000000  0.66094300  0.79803300  1.0
  Sc  Sc9  1  0.25000000  0.83905700  0.29803300  1.0
  Sc  Sc10  1  0.75000000  0.33905700  0.20196700  1.0
  Sc  Sc11  1  0.75000000  0.16094300  0.70196700  1.0
  Si  Si12  1  0.25000000  0.01524100  0.82230000  1.0
  Si  Si13  1  0.25000000  0.48475900  0.32230000  1.0
  Si  Si14  1  0.75000000  0.98475900  0.17770000  1.0
  Si  Si15  1  0.75000000  0.51524100  0.67770000  1.0
  Si  Si16  1  0.25000000  0.25237500  0.84273600  1.0
  Si  Si17  1  0.25000000  0.24762500  0.34273600  1.0
  Si  Si18  1  0.75000000  0.74762500  0.15726400  1.0
  Si  Si19  1  0.75000000  0.75237500  0.65726400  1.0
  Si  Si20  1  0.25000000  0.19390300  0.54544700  1.0
  Si  Si21  1  0.25000000  0.30609700  0.04544700  1.0
  Si  Si22  1  0.75000000  0.80609700  0.45455300  1.0
  Si  Si23  1  0.75000000  0.69390300  0.95455300  1.0
  Ru  Ru24  1  0.25000000  0.39075100  0.67749100  1.0
  Ru  Ru25  1  0.25000000  0.10924900  0.17749100  1.0
  Ru  Ru26  1  0.75000000  0.60924900  0.32250900  1.0
  Ru  Ru27  1  0.75000000  0.89075100  0.82250900  1.0