# generated using pymatgen
data_Ta3Nb4(B4Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56120245
_cell_length_b   9.56120239
_cell_length_c   3.11581084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Nb4(B4Ru3)2
_chemical_formula_sum   'Ta3 Nb4 B8 Ru6'
_cell_volume   246.67591094
_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  0.27709554  0.36346125  0.00000000  1.0
  Ta  Ta1  1  0.63653875  0.91363429  0.00000000  1.0
  Ta  Ta2  1  0.08636571  0.72290446  0.00000000  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.72457757  0.63830624  0.00000000  1.0
  Nb  Nb5  1  0.36169376  0.08627133  0.00000000  1.0
  Nb  Nb6  1  0.91372867  0.27542243  0.00000000  1.0
  B  B7  1  0.66666700  0.33333300  0.00000000  1.0
  B  B8  1  0.33333300  0.66666700  0.00000000  1.0
  B  B9  1  0.15308112  0.93350555  0.50000000  1.0
  B  B10  1  0.06649445  0.21957556  0.50000000  1.0
  B  B11  1  0.78042444  0.84691888  0.50000000  1.0
  B  B12  1  0.84509632  0.06428265  0.50000000  1.0
  B  B13  1  0.93571735  0.78081367  0.50000000  1.0
  B  B14  1  0.21918633  0.15490368  0.50000000  1.0
  Ru  Ru15  1  0.35938248  0.84477653  0.50000000  1.0
  Ru  Ru16  1  0.15522347  0.51460595  0.50000000  1.0
  Ru  Ru17  1  0.48539405  0.64061752  0.50000000  1.0
  Ru  Ru18  1  0.63940066  0.15358502  0.50000000  1.0
  Ru  Ru19  1  0.84641498  0.48581564  0.50000000  1.0
  Ru  Ru20  1  0.51418436  0.36059934  0.50000000  1.0