# generated using pymatgen
data_Ti2BeB3Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96138793
_cell_length_b   8.42870347
_cell_length_c   9.96488311
_cell_angle_alpha   90.12746670
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeB3Ru5
_chemical_formula_sum   'Ti4 Be2 B6 Ru10'
_cell_volume   248.72945114
_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
  Ti  Ti0  1  0.50000000  0.84656746  0.18620592  1.0
  Ti  Ti1  1  0.50000000  0.15343254  0.81379408  1.0
  Ti  Ti2  1  0.50000000  0.65606567  0.67953295  1.0
  Ti  Ti3  1  0.50000000  0.34393433  0.32046705  1.0
  Be  Be4  1  0.50000000  0.95708497  0.59246010  1.0
  Be  Be5  1  0.50000000  0.04291503  0.40753990  1.0
  B  B6  1  0.50000000  0.85060631  0.89930779  1.0
  B  B7  1  0.50000000  0.14939369  0.10069221  1.0
  B  B8  1  0.50000000  0.65195671  0.40059886  1.0
  B  B9  1  0.50000000  0.34804329  0.59940114  1.0
  B  B10  1  0.50000000  0.46429939  0.91066138  1.0
  B  B11  1  0.50000000  0.53570061  0.08933862  1.0
  Ru  Ru12  1  0.00000000  0.66174286  0.95408089  1.0
  Ru  Ru13  1  0.00000000  0.33825714  0.04591911  1.0
  Ru  Ru14  1  0.00000000  0.83022472  0.44258266  1.0
  Ru  Ru15  1  0.00000000  0.16977528  0.55741734  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40443914  0.76234971  1.0
  Ru  Ru18  1  0.00000000  0.59556086  0.23765029  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.89339957  0.74640577  1.0
  Ru  Ru21  1  0.00000000  0.10660043  0.25359423  1.0