# generated using pymatgen
data_Ta12Tc11B12Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15489238
_cell_length_b   9.00842695
_cell_length_c   15.63317606
_cell_angle_alpha   89.92895172
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta12Tc11B12Ru
_chemical_formula_sum   'Ta12 Tc11 B12 Ru1'
_cell_volume   444.30417591
_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  0.00000000  0.80709881  0.49341819  1.0
  Ta  Ta1  1  0.00000000  0.19317001  0.50673004  1.0
  Ta  Ta2  1  0.00000000  0.30643215  0.00699274  1.0
  Ta  Ta3  1  0.00000000  0.69278007  0.99280464  1.0
  Ta  Ta4  1  0.00000000  0.51764303  0.59559651  1.0
  Ta  Ta5  1  0.00000000  0.48361810  0.40419091  1.0
  Ta  Ta6  1  0.00000000  0.01717214  0.90448620  1.0
  Ta  Ta7  1  0.00000000  0.98277045  0.09603905  1.0
  Ta  Ta8  1  0.00000000  0.67757573  0.20716911  1.0
  Ta  Ta9  1  0.00000000  0.32095248  0.79269954  1.0
  Ta  Ta10  1  0.00000000  0.18191091  0.29339129  1.0
  Ta  Ta11  1  0.00000000  0.82127071  0.70734469  1.0
  Tc  Tc12  1  0.50000000  0.71814424  0.35792256  1.0
  Tc  Tc13  1  0.50000000  0.28290387  0.64143653  1.0
  Tc  Tc14  1  0.50000000  0.21583935  0.14177468  1.0
  Tc  Tc15  1  0.50000000  0.78261267  0.85835292  1.0
  Tc  Tc16  1  0.50000000  0.51927390  0.09546248  1.0
  Tc  Tc17  1  0.50000000  0.48082356  0.90587441  1.0
  Tc  Tc18  1  0.50000000  0.01904104  0.40357347  1.0
  Tc  Tc19  1  0.50000000  0.98140724  0.59403416  1.0
  Tc  Tc20  1  0.50000000  0.56882859  0.73247166  1.0
  Tc  Tc21  1  0.50000000  0.43136086  0.26744330  1.0
  Tc  Tc22  1  0.50000000  0.06890631  0.76747176  1.0
  B  B23  1  0.50000000  0.60515505  0.49369879  1.0
  B  B24  1  0.50000000  0.39546265  0.50612165  1.0
  B  B25  1  0.50000000  0.10414176  0.00622379  1.0
  B  B26  1  0.50000000  0.89511324  0.99442124  1.0
  B  B27  1  0.00000000  0.60958228  0.83226208  1.0
  B  B28  1  0.00000000  0.38933811  0.16738701  1.0
  B  B29  1  0.00000000  0.11019111  0.66772063  1.0
  B  B30  1  0.00000000  0.88892446  0.33379462  1.0
  B  B31  1  0.50000000  0.71781492  0.60274481  1.0
  B  B32  1  0.50000000  0.28339293  0.39719399  1.0
  B  B33  1  0.50000000  0.21736278  0.89753096  1.0
  B  B34  1  0.50000000  0.78140601  0.10197973  1.0
  Ru  Ru35  1  0.50000000  0.93057852  0.23224083  1.0