# generated using pymatgen
data_TaBRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10739274
_cell_length_b   8.98147773
_cell_length_c   15.60996333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBRu
_chemical_formula_sum   'Ta12 B12 Ru12'
_cell_volume   435.65813397
_cell_formula_units_Z   12
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  0.80080069  0.49534311  1.0
  Ta  Ta1  1  0.00000000  0.19919931  0.50465689  1.0
  Ta  Ta2  1  -0.00000000  0.30080069  0.00465689  1.0
  Ta  Ta3  1  -0.00000000  0.69919931  0.99534311  1.0
  Ta  Ta4  1  -0.00000000  0.51438130  0.59451276  1.0
  Ta  Ta5  1  0.00000000  0.48561870  0.40548724  1.0
  Ta  Ta6  1  -0.00000000  0.01438130  0.90548724  1.0
  Ta  Ta7  1  0.00000000  0.98561870  0.09451276  1.0
  Ta  Ta8  1  -0.00000000  0.68743721  0.20296211  1.0
  Ta  Ta9  1  -0.00000000  0.31256279  0.79703789  1.0
  Ta  Ta10  1  0.00000000  0.18743721  0.29703789  1.0
  Ta  Ta11  1  0.00000000  0.81256279  0.70296211  1.0
  B  B12  1  0.50000000  0.60453016  0.49748698  1.0
  B  B13  1  0.50000000  0.39546984  0.50251302  1.0
  B  B14  1  0.50000000  0.10453016  0.00251302  1.0
  B  B15  1  0.50000000  0.89546984  0.99748698  1.0
  B  B16  1  -0.00000000  0.60885783  0.83216852  1.0
  B  B17  1  -0.00000000  0.39114217  0.16783148  1.0
  B  B18  1  -0.00000000  0.10885783  0.66783148  1.0
  B  B19  1  0.00000000  0.89114217  0.33216852  1.0
  B  B20  1  0.50000000  0.71391406  0.59855307  1.0
  B  B21  1  0.50000000  0.28608594  0.40144693  1.0
  B  B22  1  0.50000000  0.21391406  0.90144693  1.0
  B  B23  1  0.50000000  0.78608594  0.09855307  1.0
  Ru  Ru24  1  0.50000000  0.72109251  0.35556065  1.0
  Ru  Ru25  1  0.50000000  0.27890749  0.64443935  1.0
  Ru  Ru26  1  0.50000000  0.22109251  0.14443935  1.0
  Ru  Ru27  1  0.50000000  0.77890749  0.85556065  1.0
  Ru  Ru28  1  0.50000000  0.51574189  0.09466656  1.0
  Ru  Ru29  1  0.50000000  0.48425811  0.90533344  1.0
  Ru  Ru30  1  0.50000000  0.01574189  0.40533344  1.0
  Ru  Ru31  1  0.50000000  0.98425811  0.59466656  1.0
  Ru  Ru32  1  0.50000000  0.56134473  0.73524364  1.0
  Ru  Ru33  1  0.50000000  0.43865527  0.26475636  1.0
  Ru  Ru34  1  0.50000000  0.06134473  0.76475636  1.0
  Ru  Ru35  1  0.50000000  0.93865527  0.23524364  1.0