# generated using pymatgen
data_Ta2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37044391
_cell_length_b   7.37044327
_cell_length_c   7.37044366
_cell_angle_alpha   60.00141714
_cell_angle_beta   60.00140946
_cell_angle_gamma   60.00141384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2(Ni7B2)3
_chemical_formula_sum   'Ta2 Ni21 B6'
_cell_volume   283.12603285
_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  0.75000020  0.74999995  0.75000026  1.0
  Ta  Ta1  1  0.24999969  0.25000014  0.24999979  1.0
  Ni  Ni2  1  0.00000050  0.00000017  -0.00000060  1.0
  Ni  Ni3  1  0.61575218  0.61575265  0.15274502  1.0
  Ni  Ni4  1  0.61575222  0.15274534  0.61575329  1.0
  Ni  Ni5  1  0.15274510  0.61575193  0.61575250  1.0
  Ni  Ni6  1  0.61575256  0.61575113  0.61575231  1.0
  Ni  Ni7  1  0.38424758  0.38424720  0.84725515  1.0
  Ni  Ni8  1  0.38424714  0.84725500  0.38424733  1.0
  Ni  Ni9  1  0.84725540  0.38424735  0.38424784  1.0
  Ni  Ni10  1  0.38424699  0.38424837  0.38424808  1.0
  Ni  Ni11  1  -0.00000005  -0.00000069  0.34065867  1.0
  Ni  Ni12  1  0.65934475  0.00000012  0.34065495  1.0
  Ni  Ni13  1  0.00000047  0.65934390  0.34065563  1.0
  Ni  Ni14  1  0.65934481  0.34065536  -0.00000065  1.0
  Ni  Ni15  1  -0.00000007  0.34065867  -0.00000106  1.0
  Ni  Ni16  1  0.00000020  0.34065519  0.65934424  1.0
  Ni  Ni17  1  0.34065506  0.65934494  0.00000023  1.0
  Ni  Ni18  1  0.34065435  0.00000032  0.65934542  1.0
  Ni  Ni19  1  0.34065885  -0.00000057  -0.00000071  1.0
  Ni  Ni20  1  0.00000060  0.00000118  0.65934133  1.0
  Ni  Ni21  1  0.00000077  0.65934113  0.00000079  1.0
  Ni  Ni22  1  0.65934090  0.00000111  0.00000009  1.0
  B  B23  1  0.73199242  0.73199241  0.26800781  1.0
  B  B24  1  0.26800756  0.73199217  0.26800764  1.0
  B  B25  1  0.73199218  0.26800762  0.26800757  1.0
  B  B26  1  0.26800756  0.26800768  0.73199220  1.0
  B  B27  1  0.73199232  0.26800787  0.73199243  1.0
  B  B28  1  0.26800777  0.73199237  0.73199246  1.0