# generated using pymatgen
data_ScBe4NbRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15732923
_cell_length_b   8.57338536
_cell_length_c   10.06963056
_cell_angle_alpha   90.29613321
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe4NbRu5
_chemical_formula_sum   'Sc2 Be8 Nb2 Ru10'
_cell_volume   272.57119101
_cell_formula_units_Z   2
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  0.66026012  0.67919642  1.0
  Sc  Sc1  1  0.50000000  0.33973988  0.32080358  1.0
  Be  Be2  1  0.50000000  0.96449035  0.59438936  1.0
  Be  Be3  1  0.50000000  0.03550965  0.40561064  1.0
  Be  Be4  1  0.50000000  0.84194935  0.90486718  1.0
  Be  Be5  1  0.50000000  0.15805065  0.09513282  1.0
  Be  Be6  1  0.50000000  0.65925215  0.40500598  1.0
  Be  Be7  1  0.50000000  0.34074785  0.59499402  1.0
  Be  Be8  1  0.50000000  0.46462444  0.90521172  1.0
  Be  Be9  1  0.50000000  0.53537556  0.09478828  1.0
  Nb  Nb10  1  0.50000000  0.84214459  0.18378574  1.0
  Nb  Nb11  1  0.50000000  0.15785541  0.81621426  1.0
  Ru  Ru12  1  0.00000000  0.66027003  0.95555193  1.0
  Ru  Ru13  1  0.00000000  0.33972997  0.04444807  1.0
  Ru  Ru14  1  0.00000000  0.84258676  0.45027787  1.0
  Ru  Ru15  1  0.00000000  0.15741324  0.54972213  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.39444415  0.75839478  1.0
  Ru  Ru18  1  0.00000000  0.60555585  0.24160522  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.91007514  0.74378214  1.0
  Ru  Ru21  1  0.00000000  0.08992486  0.25621786  1.0