# generated using pymatgen
data_TaNb3(NiB2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12875642
_cell_length_b   6.01175201
_cell_length_c   8.16845509
_cell_angle_alpha   90.00895603
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb3(NiB2)4
_chemical_formula_sum   'Ta1 Nb3 Ni4 B8'
_cell_volume   153.64298337
_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  0.75000000  0.36776624  0.36709377  1.0
  Nb  Nb1  1  0.25000000  0.13219335  0.86731435  1.0
  Nb  Nb2  1  0.75000000  0.86860376  0.13247518  1.0
  Nb  Nb3  1  0.25000000  0.63141672  0.63212444  1.0
  Ni  Ni4  1  0.75000000  0.50060601  0.88547901  1.0
  Ni  Ni5  1  0.75000000  0.00027212  0.61450260  1.0
  Ni  Ni6  1  0.25000000  0.49948572  0.11571769  1.0
  Ni  Ni7  1  0.25000000  0.00060953  0.38516400  1.0
  B  B8  1  0.25000000  0.17347653  0.16979343  1.0
  B  B9  1  0.75000000  0.82717487  0.83123688  1.0
  B  B10  1  0.25000000  0.67179078  0.33183793  1.0
  B  B11  1  0.75000000  0.32725020  0.66798266  1.0
  B  B12  1  0.25000000  0.23931525  0.57540946  1.0
  B  B13  1  0.75000000  0.26174491  0.07745983  1.0
  B  B14  1  0.25000000  0.73845162  0.92330685  1.0
  B  B15  1  0.75000000  0.75984038  0.42310092  1.0