# generated using pymatgen
data_Ta12Re7B12Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13996315
_cell_length_b   9.05277686
_cell_length_c   15.62533805
_cell_angle_alpha   90.09617784
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta12Re7B12Ru5
_chemical_formula_sum   'Ta12 Re7 B12 Ru5'
_cell_volume   444.15563572
_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  0.80391933  0.49383644  1.0
  Ta  Ta1  1  0.00000000  0.19882576  0.50572151  1.0
  Ta  Ta2  1  0.00000000  0.30377635  0.00652915  1.0
  Ta  Ta3  1  0.00000000  0.69573314  0.99335702  1.0
  Ta  Ta4  1  0.00000000  0.51701768  0.59430669  1.0
  Ta  Ta5  1  0.00000000  0.48336239  0.40548179  1.0
  Ta  Ta6  1  0.00000000  0.01734715  0.90525868  1.0
  Ta  Ta7  1  0.00000000  0.98217717  0.09462509  1.0
  Ta  Ta8  1  0.00000000  0.68167583  0.20632595  1.0
  Ta  Ta9  1  0.00000000  0.31835262  0.79382374  1.0
  Ta  Ta10  1  0.00000000  0.18148358  0.29419994  1.0
  Ta  Ta11  1  0.00000000  0.81714134  0.70667884  1.0
  Re  Re12  1  0.50000000  0.71648338  0.35749620  1.0
  Re  Re13  1  0.50000000  0.28226825  0.64268896  1.0
  Re  Re14  1  0.50000000  0.21557149  0.14338601  1.0
  Re  Re15  1  0.50000000  0.78406837  0.85586070  1.0
  Re  Re16  1  0.50000000  0.51829810  0.09586837  1.0
  Re  Re17  1  0.50000000  0.48144350  0.90353813  1.0
  Re  Re18  1  0.50000000  0.01890542  0.40532746  1.0
  B  B19  1  0.50000000  0.60671870  0.49502205  1.0
  B  B20  1  0.50000000  0.39513952  0.50511196  1.0
  B  B21  1  0.50000000  0.10501471  0.00533930  1.0
  B  B22  1  0.50000000  0.89462626  0.99427323  1.0
  B  B23  1  0.00000000  0.61115690  0.83370774  1.0
  B  B24  1  0.00000000  0.38825005  0.16604925  1.0
  B  B25  1  0.00000000  0.11311897  0.66708587  1.0
  B  B26  1  0.00000000  0.88900177  0.33419674  1.0
  B  B27  1  0.50000000  0.71704426  0.60085667  1.0
  B  B28  1  0.50000000  0.28309340  0.39936624  1.0
  B  B29  1  0.50000000  0.21783022  0.89901541  1.0
  B  B30  1  0.50000000  0.78149302  0.10089985  1.0
  Ru  Ru31  1  0.50000000  0.98149445  0.59635889  1.0
  Ru  Ru32  1  0.50000000  0.56868407  0.73105383  1.0
  Ru  Ru33  1  0.50000000  0.43070627  0.26862613  1.0
  Ru  Ru34  1  0.50000000  0.06767236  0.76655767  1.0
  Ru  Ru35  1  0.50000000  0.93110324  0.23216954  1.0