# generated using pymatgen
data_Ta12Tc11B12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16058798
_cell_length_b   9.00945301
_cell_length_c   15.62079614
_cell_angle_alpha   89.84757760
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta12Tc11B12Ir
_chemical_formula_sum   'Ta12 Tc11 B12 Ir1'
_cell_volume   444.80323516
_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  0.80654022  0.49393231  1.0
  Ta  Ta1  1  0.00000000  0.19380323  0.50687900  1.0
  Ta  Ta2  1  0.00000000  0.30571431  0.00666451  1.0
  Ta  Ta3  1  0.00000000  0.69280511  0.99267403  1.0
  Ta  Ta4  1  0.00000000  0.51783405  0.59563387  1.0
  Ta  Ta5  1  0.00000000  0.48428129  0.40427835  1.0
  Ta  Ta6  1  0.00000000  0.01689559  0.90415012  1.0
  Ta  Ta7  1  0.00000000  0.98300754  0.09514775  1.0
  Ta  Ta8  1  0.00000000  0.67560587  0.20667305  1.0
  Ta  Ta9  1  0.00000000  0.32091755  0.79283516  1.0
  Ta  Ta10  1  0.00000000  0.18493578  0.29432596  1.0
  Ta  Ta11  1  0.00000000  0.82149413  0.70735500  1.0
  Tc  Tc12  1  0.50000000  0.71880650  0.35763153  1.0
  Tc  Tc13  1  0.50000000  0.28290816  0.64154030  1.0
  Tc  Tc14  1  0.50000000  0.21445895  0.14224088  1.0
  Tc  Tc15  1  0.50000000  0.78259358  0.85833448  1.0
  Tc  Tc16  1  0.50000000  0.51859682  0.09590746  1.0
  Tc  Tc17  1  0.50000000  0.48102835  0.90597283  1.0
  Tc  Tc18  1  0.50000000  0.01959447  0.40290547  1.0
  Tc  Tc19  1  0.50000000  0.98149815  0.59359295  1.0
  Tc  Tc20  1  0.50000000  0.56835352  0.73248901  1.0
  Tc  Tc21  1  0.50000000  0.43156325  0.26752149  1.0
  Tc  Tc22  1  0.50000000  0.06930032  0.76720636  1.0
  B  B23  1  0.50000000  0.60562806  0.49375467  1.0
  B  B24  1  0.50000000  0.39562690  0.50612069  1.0
  B  B25  1  0.50000000  0.10429463  0.00564073  1.0
  B  B26  1  0.50000000  0.89456870  0.99461898  1.0
  B  B27  1  0.00000000  0.60954044  0.83203738  1.0
  B  B28  1  0.00000000  0.38855123  0.16723720  1.0
  B  B29  1  0.00000000  0.10992979  0.66736575  1.0
  B  B30  1  0.00000000  0.88860747  0.33541522  1.0
  B  B31  1  0.50000000  0.71795382  0.60300165  1.0
  B  B32  1  0.50000000  0.28426552  0.39775670  1.0
  B  B33  1  0.50000000  0.21700427  0.89774685  1.0
  B  B34  1  0.50000000  0.78062431  0.10093889  1.0
  Ir  Ir35  1  0.50000000  0.93086810  0.23247444  1.0