# generated using pymatgen
data_Sc(BRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13631293
_cell_length_b   9.13631293
_cell_length_c   9.13631293
_cell_angle_alpha   132.28999750
_cell_angle_beta   132.28999750
_cell_angle_gamma   69.77139121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(BRu)4
_chemical_formula_sum   'Sc4 B16 Ru16'
_cell_volume   409.27517686
_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  0.75000000  0.75000000  0.00000000  1.0
  Sc  Sc1  1  0.25000000  0.25000000  0.00000000  1.0
  Sc  Sc2  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc3  1  0.50000000  0.00000000  0.50000000  1.0
  B  B4  1  0.71714400  0.41207200  0.96635800  1.0
  B  B5  1  0.21714400  0.25078600  0.30507200  1.0
  B  B6  1  0.66207200  0.46714400  0.46635800  1.0
  B  B7  1  0.16207200  0.69571400  0.19492800  1.0
  B  B8  1  0.03285600  0.83792800  0.53364200  1.0
  B  B9  1  0.53285600  0.99921400  0.19492800  1.0
  B  B10  1  0.08792800  0.78285600  0.03364200  1.0
  B  B11  1  0.58792800  0.55428600  0.30507200  1.0
  B  B12  1  0.94571400  0.91207200  0.69492800  1.0
  B  B13  1  0.44571400  0.75078600  0.03364200  1.0
  B  B14  1  0.50078600  0.96714400  0.80507200  1.0
  B  B15  1  0.00078600  0.19571400  0.53364200  1.0
  B  B16  1  0.80428600  0.33792800  0.80507200  1.0
  B  B17  1  0.30428600  0.49921400  0.46635800  1.0
  B  B18  1  0.24921400  0.28285600  0.69492800  1.0
  B  B19  1  0.74921400  0.05428600  0.96635800  1.0
  Ru  Ru20  1  0.03478000  0.57352900  0.23145800  1.0
  Ru  Ru21  1  0.53478000  0.30332200  0.46125100  1.0
  Ru  Ru22  1  0.82352900  0.78478000  0.73145800  1.0
  Ru  Ru23  1  0.32352900  0.59207000  0.03874900  1.0
  Ru  Ru24  1  0.71522000  0.67647100  0.26854200  1.0
  Ru  Ru25  1  0.21522000  0.94667800  0.03874900  1.0
  Ru  Ru26  1  0.92647100  0.46522000  0.76854200  1.0
  Ru  Ru27  1  0.42647100  0.65793000  0.46125100  1.0
  Ru  Ru28  1  0.84207000  0.07352900  0.53874900  1.0
  Ru  Ru29  1  0.34207000  0.80332200  0.76854200  1.0
  Ru  Ru30  1  0.55332200  0.28478000  0.96125100  1.0
  Ru  Ru31  1  0.05332200  0.09207000  0.26854200  1.0
  Ru  Ru32  1  0.90793000  0.17647100  0.96125100  1.0
  Ru  Ru33  1  0.40793000  0.44667800  0.73145800  1.0
  Ru  Ru34  1  0.19667800  0.96522000  0.53874900  1.0
  Ru  Ru35  1  0.69667800  0.15793000  0.23145800  1.0