# generated using pymatgen
data_Ta3Ti3(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25598779
_cell_length_b   9.25598779
_cell_length_c   3.01214487
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.79570906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti3(B2Ru5)2
_chemical_formula_sum   'Ta3 Ti3 B4 Ru10'
_cell_volume   258.05878042
_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
  Ta  Ta0  1  0.17587877  0.32412123  0.00000000  1.0
  Ta  Ta1  1  0.32305688  0.82186283  0.00000000  1.0
  Ta  Ta2  1  0.67813717  0.17694312  0.00000000  1.0
  Ti  Ti3  1  0.82240527  0.67759473  0.00000000  1.0
  Ti  Ti4  1  0.50119350  0.50053004  0.00000000  1.0
  Ti  Ti5  1  0.99946996  0.99880650  0.00000000  1.0
  B  B6  1  0.62570638  0.87429362  0.00000000  1.0
  B  B7  1  0.37666896  0.12333104  0.00000000  1.0
  B  B8  1  0.12170075  0.62373042  0.00000000  1.0
  B  B9  1  0.87626958  0.37829925  0.00000000  1.0
  Ru  Ru10  1  0.57034288  0.71559647  0.50000000  1.0
  Ru  Ru11  1  0.42861713  0.28437068  0.50000000  1.0
  Ru  Ru12  1  0.07252539  0.78480402  0.50000000  1.0
  Ru  Ru13  1  0.93017598  0.21607224  0.50000000  1.0
  Ru  Ru14  1  0.28392776  0.56982402  0.50000000  1.0
  Ru  Ru15  1  0.71519598  0.42747461  0.50000000  1.0
  Ru  Ru16  1  0.21562932  0.07138287  0.50000000  1.0
  Ru  Ru17  1  0.78440353  0.92965712  0.50000000  1.0
  Ru  Ru18  1  0.50013074  0.99986926  0.50000000  1.0
  Ru  Ru19  1  0.99856308  0.50143692  0.50000000  1.0