# generated using pymatgen
data_Ta3Tc2B3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18005557
_cell_length_b   9.00631166
_cell_length_c   15.51299469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Tc2B3Ir
_chemical_formula_sum   'Ta12 Tc8 B12 Ir4'
_cell_volume   444.30103411
_cell_formula_units_Z   4
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  0.80346550  0.49333940  1.0
  Ta  Ta1  1  0.00000000  0.19653450  0.50666060  1.0
  Ta  Ta2  1  0.00000000  0.30346550  0.00666060  1.0
  Ta  Ta3  1  0.00000000  0.69653450  0.99333940  1.0
  Ta  Ta4  1  0.00000000  0.51507491  0.59423386  1.0
  Ta  Ta5  1  0.00000000  0.48492509  0.40576614  1.0
  Ta  Ta6  1  0.00000000  0.01507491  0.90576614  1.0
  Ta  Ta7  1  0.00000000  0.98492509  0.09423386  1.0
  Ta  Ta8  1  0.00000000  0.68135296  0.20425310  1.0
  Ta  Ta9  1  0.00000000  0.31864704  0.79574690  1.0
  Ta  Ta10  1  0.00000000  0.18135296  0.29574690  1.0
  Ta  Ta11  1  0.00000000  0.81864704  0.70425310  1.0
  Tc  Tc12  1  0.50000000  0.71625892  0.35579830  1.0
  Tc  Tc13  1  0.50000000  0.28374108  0.64420170  1.0
  Tc  Tc14  1  0.50000000  0.21625892  0.14420170  1.0
  Tc  Tc15  1  0.50000000  0.78374108  0.85579830  1.0
  Tc  Tc16  1  0.50000000  0.51890923  0.09681388  1.0
  Tc  Tc17  1  0.50000000  0.48109077  0.90318612  1.0
  Tc  Tc18  1  0.50000000  0.01890923  0.40318612  1.0
  Tc  Tc19  1  0.50000000  0.98109077  0.59681388  1.0
  B  B20  1  0.50000000  0.60563747  0.49572135  1.0
  B  B21  1  0.50000000  0.39436253  0.50427865  1.0
  B  B22  1  0.50000000  0.10563747  0.00427865  1.0
  B  B23  1  0.50000000  0.89436253  0.99572135  1.0
  B  B24  1  0.00000000  0.61279435  0.83461889  1.0
  B  B25  1  0.00000000  0.38720565  0.16538111  1.0
  B  B26  1  0.00000000  0.11279435  0.66538111  1.0
  B  B27  1  0.00000000  0.88720565  0.33461889  1.0
  B  B28  1  0.50000000  0.71580581  0.59901954  1.0
  B  B29  1  0.50000000  0.28419419  0.40098046  1.0
  B  B30  1  0.50000000  0.21580581  0.90098046  1.0
  B  B31  1  0.50000000  0.78419419  0.09901954  1.0
  Ir  Ir32  1  0.50000000  0.56833428  0.73243178  1.0
  Ir  Ir33  1  0.50000000  0.43166572  0.26756822  1.0
  Ir  Ir34  1  0.50000000  0.06833428  0.76756822  1.0
  Ir  Ir35  1  0.50000000  0.93166572  0.23243178  1.0