# generated using pymatgen
data_Sc6BP5Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44562414
_cell_length_b   7.44566573
_cell_length_c   7.44562574
_cell_angle_alpha   127.69293131
_cell_angle_beta   123.70981536
_cell_angle_gamma   80.42032967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6BP5Ru6
_chemical_formula_sum   'Sc6 B1 P5 Ru6'
_cell_volume   262.16182402
_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  0.45102976  0.65458840  0.70355864  1.0
  Sc  Sc1  1  0.54869927  0.25392095  0.20522268  1.0
  Sc  Sc2  1  0.74993766  0.84571625  0.59577858  1.0
  Sc  Sc3  1  0.25009247  0.85630073  0.10620726  1.0
  Sc  Sc4  1  0.04908904  0.25261295  0.70352391  1.0
  Sc  Sc5  1  0.95120969  0.65642321  0.20521352  1.0
  B  B6  1  0.25028494  0.25458285  0.50429890  1.0
  P  P7  1  0.74986617  0.25258928  0.00272411  1.0
  P  P8  1  0.33377998  0.58696691  0.25365651  1.0
  P  P9  1  0.66669228  0.91983726  0.25361666  1.0
  P  P10  1  0.16621959  0.91983726  0.75314498  1.0
  P  P11  1  0.83331140  0.58696691  0.75318693  1.0
  Ru  Ru12  1  0.48311923  0.49406541  0.97728870  1.0
  Ru  Ru13  1  0.01677771  0.49406541  0.51094617  1.0
  Ru  Ru14  1  0.13560034  0.25309125  0.14812498  1.0
  Ru  Ru15  1  0.89595037  0.01247237  0.14909656  1.0
  Ru  Ru16  1  0.36337580  0.01247237  0.61652100  1.0
  Ru  Ru17  1  0.60496627  0.25309125  0.61749091  1.0