# generated using pymatgen
data_Sc4Be3(BRu2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04194358
_cell_length_b   8.52478069
_cell_length_c   10.09818121
_cell_angle_alpha   90.42090976
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Be3(BRu2)5
_chemical_formula_sum   'Sc4 Be3 B5 Ru10'
_cell_volume   261.85797841
_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  0.50000000  0.84546581  0.18338582  1.0
  Sc  Sc1  1  0.50000000  0.15911018  0.81442132  1.0
  Sc  Sc2  1  0.50000000  0.65803405  0.67971680  1.0
  Sc  Sc3  1  0.50000000  0.34553822  0.31880555  1.0
  Be  Be4  1  0.50000000  0.96038857  0.59356408  1.0
  Be  Be5  1  0.50000000  0.03985269  0.40591350  1.0
  Be  Be6  1  0.50000000  0.84105150  0.90409719  1.0
  B  B7  1  0.50000000  0.14707854  0.09951524  1.0
  B  B8  1  0.50000000  0.65417253  0.40205538  1.0
  B  B9  1  0.50000000  0.34681933  0.59677123  1.0
  B  B10  1  0.50000000  0.46381287  0.91072506  1.0
  B  B11  1  0.50000000  0.53314452  0.09093240  1.0
  Ru  Ru12  1  0.00000000  0.64660117  0.95967492  1.0
  Ru  Ru13  1  0.00000000  0.34018264  0.04544673  1.0
  Ru  Ru14  1  0.00000000  0.83400525  0.44686171  1.0
  Ru  Ru15  1  0.00000000  0.16787479  0.55034711  1.0
  Ru  Ru16  1  0.00000000  0.00787475  0.99968277  1.0
  Ru  Ru17  1  0.00000000  0.40602921  0.76080921  1.0
  Ru  Ru18  1  0.00000000  0.59517709  0.23931266  1.0
  Ru  Ru19  1  0.00000000  0.50109086  0.50029632  1.0
  Ru  Ru20  1  0.00000000  0.90158212  0.74463370  1.0
  Ru  Ru21  1  0.00000000  0.10511330  0.25302830  1.0