# generated using pymatgen
data_CaSc7(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49706956
_cell_length_b   8.88803606
_cell_length_c   11.22304403
_cell_angle_alpha   89.97373106
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSc7(B6Ru)4
_chemical_formula_sum   'Ca1 Sc7 B24 Ru4'
_cell_volume   348.83551901
_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
  Ca  Ca0  1  0.00000000  0.32078881  0.41409707  1.0
  Sc  Sc1  1  0.00000000  0.67951438  0.58546224  1.0
  Sc  Sc2  1  0.00000000  0.81909371  0.08572985  1.0
  Sc  Sc3  1  0.00000000  0.18217941  0.91500688  1.0
  Sc  Sc4  1  0.00000000  0.94349413  0.37159481  1.0
  Sc  Sc5  1  0.00000000  0.05621161  0.62846186  1.0
  Sc  Sc6  1  0.00000000  0.44396849  0.12726096  1.0
  Sc  Sc7  1  0.00000000  0.55604991  0.87326680  1.0
  B  B8  1  0.50000000  0.55598467  0.43452715  1.0
  B  B9  1  0.50000000  0.44748880  0.56794809  1.0
  B  B10  1  0.50000000  0.05269754  0.06379745  1.0
  B  B11  1  0.50000000  0.94575754  0.93427568  1.0
  B  B12  1  0.50000000  0.75190710  0.42074591  1.0
  B  B13  1  0.50000000  0.24823199  0.58264995  1.0
  B  B14  1  0.50000000  0.25080616  0.07817393  1.0
  B  B15  1  0.50000000  0.74860647  0.92100614  1.0
  B  B16  1  0.50000000  0.79441397  0.26360224  1.0
  B  B17  1  0.50000000  0.20651059  0.73746695  1.0
  B  B18  1  0.50000000  0.29204002  0.23293761  1.0
  B  B19  1  0.50000000  0.70654509  0.76476262  1.0
  B  B20  1  0.50000000  0.63101643  0.18236467  1.0
  B  B21  1  0.50000000  0.37028132  0.81860639  1.0
  B  B22  1  0.50000000  0.12779760  0.31486692  1.0
  B  B23  1  0.50000000  0.86947276  0.68285149  1.0
  B  B24  1  0.50000000  0.97935413  0.21107425  1.0
  B  B25  1  0.50000000  0.01951904  0.78749011  1.0
  B  B26  1  0.50000000  0.48246459  0.28555159  1.0
  B  B27  1  0.50000000  0.52014802  0.71380693  1.0
  B  B28  1  0.50000000  0.60318627  0.02812610  1.0
  B  B29  1  0.50000000  0.39785185  0.97216025  1.0
  B  B30  1  0.50000000  0.09719337  0.47342393  1.0
  B  B31  1  0.50000000  0.89853788  0.52787581  1.0
  Ru  Ru32  1  0.00000000  0.64231948  0.31844461  1.0
  Ru  Ru33  1  0.00000000  0.36101181  0.68358375  1.0
  Ru  Ru34  1  0.00000000  0.13642861  0.17681945  1.0
  Ru  Ru35  1  0.00000000  0.86112641  0.82018056  1.0