# generated using pymatgen
data_Sc6BAs5Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61623605
_cell_length_b   7.61664634
_cell_length_c   7.61623692
_cell_angle_alpha   127.68776648
_cell_angle_beta   123.59374518
_cell_angle_gamma   80.52119420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6BAs5Ru6
_chemical_formula_sum   'Sc6 B1 As5 Ru6'
_cell_volume   280.96093858
_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  0.44877676  0.65005619  0.70128043  1.0
  Sc  Sc1  1  0.54934569  0.25406275  0.20471706  1.0
  Sc  Sc2  1  0.74999253  0.84851560  0.59852307  1.0
  Sc  Sc3  1  0.24998060  0.85811280  0.10813020  1.0
  Sc  Sc4  1  0.05124704  0.25249551  0.70124847  1.0
  Sc  Sc5  1  0.95065167  0.65532195  0.20467027  1.0
  B  B6  1  0.25011885  0.25383756  0.50371971  1.0
  As  As7  1  0.75002584  0.25200327  0.00197743  1.0
  As  As8  1  0.33411425  0.58720039  0.25412463  1.0
  As  As9  1  0.66693125  0.91999732  0.25414549  1.0
  As  As10  1  0.16584983  0.91999732  0.75306507  1.0
  As  As11  1  0.83307776  0.58720039  0.75308714  1.0
  Ru  Ru12  1  0.46853247  0.49113620  0.95973045  1.0
  Ru  Ru13  1  0.03140575  0.49113620  0.52260373  1.0
  Ru  Ru14  1  0.14950652  0.25330891  0.16543137  1.0
  Ru  Ru15  1  0.91235804  0.01595587  0.16574625  1.0
  Ru  Ru16  1  0.35020962  0.01595587  0.60359783  1.0
  Ru  Ru17  1  0.58787754  0.25330891  0.60380239  1.0