# generated using pymatgen
data_Ta3Nb13(Ni2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22482026
_cell_length_b   8.22593731
_cell_length_c   8.22482052
_cell_angle_alpha   60.00449095
_cell_angle_beta   59.99999898
_cell_angle_gamma   60.00449591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Nb13(Ni2N)4
_chemical_formula_sum   'Ta3 Nb13 Ni8 N4'
_cell_volume   393.50724519
_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  0.12500000  0.62500000  0.62500000  1.0
  Ta  Ta1  1  0.62500000  0.62500000  0.12500000  1.0
  Ta  Ta2  1  0.62500000  0.62500000  0.62500000  1.0
  Nb  Nb3  1  0.62500000  0.12500000  0.62500000  1.0
  Nb  Nb4  1  0.81665847  0.81702071  0.18316041  1.0
  Nb  Nb5  1  0.18315496  0.18309294  0.81687605  1.0
  Nb  Nb6  1  0.81687605  0.18309294  0.81687605  1.0
  Nb  Nb7  1  0.18316041  0.81702071  0.18316041  1.0
  Nb  Nb8  1  0.18316041  0.81702071  0.81665847  1.0
  Nb  Nb9  1  0.81687605  0.18309294  0.18315496  1.0
  Nb  Nb10  1  0.43334153  0.43297929  0.06683959  1.0
  Nb  Nb11  1  0.06684504  0.06690706  0.43312395  1.0
  Nb  Nb12  1  0.43312395  0.06690706  0.43312395  1.0
  Nb  Nb13  1  0.06683959  0.43297929  0.06683959  1.0
  Nb  Nb14  1  0.06683959  0.43297929  0.43334153  1.0
  Nb  Nb15  1  0.43312395  0.06690706  0.06684504  1.0
  Ni  Ni16  1  0.73641099  0.42302096  0.42028352  1.0
  Ni  Ni17  1  0.42102855  0.73691335  0.42102855  1.0
  Ni  Ni18  1  0.42028352  0.42302096  0.73641099  1.0
  Ni  Ni19  1  0.42028352  0.42302096  0.42028352  1.0
  Ni  Ni20  1  0.51358901  0.82697904  0.82971648  1.0
  Ni  Ni21  1  0.82897145  0.51308665  0.82897145  1.0
  Ni  Ni22  1  0.82971648  0.82697904  0.51358901  1.0
  Ni  Ni23  1  0.82971648  0.82697904  0.82971648  1.0
  N  N24  1  0.62500000  0.12500000  0.12500000  1.0
  N  N25  1  0.12500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0