# generated using pymatgen
data_Be3(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54254284
_cell_length_b   5.54254300
_cell_length_c   5.76297992
_cell_angle_alpha   98.43679866
_cell_angle_beta   98.43679594
_cell_angle_gamma   43.79653766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3(BRu)2
_chemical_formula_sum   'Be6 B4 Ru4'
_cell_volume   120.98600792
_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
  Be  Be0  1  0.07626718  0.35435457  0.81327701  1.0
  Be  Be1  1  0.64564543  0.92373282  0.68672299  1.0
  Be  Be2  1  0.92373282  0.64564543  0.18672299  1.0
  Be  Be3  1  0.35435457  0.07626718  0.31327701  1.0
  Be  Be4  1  0.84048853  0.15951147  0.75000000  1.0
  Be  Be5  1  0.15951147  0.84048853  0.25000000  1.0
  B  B6  1  0.06184410  0.74224220  0.92515218  1.0
  B  B7  1  0.25775780  0.93815590  0.57484782  1.0
  B  B8  1  0.93815590  0.25775780  0.07484782  1.0
  B  B9  1  0.74224220  0.06184410  0.42515218  1.0
  Ru  Ru10  1  0.22772738  0.54662936  0.56684942  1.0
  Ru  Ru11  1  0.45337064  0.77227262  0.93315058  1.0
  Ru  Ru12  1  0.77227262  0.45337064  0.43315058  1.0
  Ru  Ru13  1  0.54662936  0.22772738  0.06684942  1.0