# generated using pymatgen
data_TaTi2(BRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07061352
_cell_length_b   8.88323088
_cell_length_c   15.33968527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2(BRu)3
_chemical_formula_sum   'Ta4 Ti8 B12 Ru12'
_cell_volume   418.42011718
_cell_formula_units_Z   4
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  0.00000000  0.68384221  0.20537576  1.0
  Ta  Ta1  1  0.00000000  0.31615779  0.79462424  1.0
  Ta  Ta2  1  0.00000000  0.18384221  0.29462424  1.0
  Ta  Ta3  1  0.00000000  0.81615779  0.70537576  1.0
  Ti  Ti4  1  0.00000000  0.80252749  0.49473059  1.0
  Ti  Ti5  1  0.00000000  0.19747251  0.50526941  1.0
  Ti  Ti6  1  0.00000000  0.30252749  0.00526941  1.0
  Ti  Ti7  1  0.00000000  0.69747251  0.99473059  1.0
  Ti  Ti8  1  0.00000000  0.51282827  0.59565327  1.0
  Ti  Ti9  1  0.00000000  0.48717173  0.40434673  1.0
  Ti  Ti10  1  0.00000000  0.01282827  0.90434673  1.0
  Ti  Ti11  1  0.00000000  0.98717173  0.09565327  1.0
  B  B12  1  0.50000000  0.60323085  0.49647282  1.0
  B  B13  1  0.50000000  0.39676915  0.50352718  1.0
  B  B14  1  0.50000000  0.10323085  0.00352718  1.0
  B  B15  1  0.50000000  0.89676915  0.99647282  1.0
  B  B16  1  0.00000000  0.60970749  0.83399901  1.0
  B  B17  1  0.00000000  0.39029251  0.16600099  1.0
  B  B18  1  0.00000000  0.10970749  0.66600099  1.0
  B  B19  1  0.00000000  0.89029251  0.33399901  1.0
  B  B20  1  0.50000000  0.71179502  0.59886583  1.0
  B  B21  1  0.50000000  0.28820498  0.40113417  1.0
  B  B22  1  0.50000000  0.21179502  0.90113417  1.0
  B  B23  1  0.50000000  0.78820498  0.09886583  1.0
  Ru  Ru24  1  0.50000000  0.71863040  0.35953912  1.0
  Ru  Ru25  1  0.50000000  0.28136960  0.64046088  1.0
  Ru  Ru26  1  0.50000000  0.21863040  0.14046088  1.0
  Ru  Ru27  1  0.50000000  0.78136960  0.85953912  1.0
  Ru  Ru28  1  0.50000000  0.51996766  0.09419728  1.0
  Ru  Ru29  1  0.50000000  0.48003234  0.90580272  1.0
  Ru  Ru30  1  0.50000000  0.01996766  0.40580272  1.0
  Ru  Ru31  1  0.50000000  0.98003234  0.59419728  1.0
  Ru  Ru32  1  0.50000000  0.56595490  0.73212083  1.0
  Ru  Ru33  1  0.50000000  0.43404510  0.26787917  1.0
  Ru  Ru34  1  0.50000000  0.06595490  0.76787917  1.0
  Ru  Ru35  1  0.50000000  0.93404510  0.23212083  1.0