# generated using pymatgen
data_Ta16Ni8CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17088960
_cell_length_b   8.18841304
_cell_length_c   8.17088984
_cell_angle_alpha   60.07076936
_cell_angle_beta   60.00000300
_cell_angle_gamma   60.07077065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta16Ni8CN3
_chemical_formula_sum   'Ta16 Ni8 C1 N3'
_cell_volume   386.97880939
_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  0.43296506  0.06786925  0.06620163  1.0
  Ta  Ta1  1  0.06572400  0.43415749  0.43439350  1.0
  Ta  Ta2  1  0.06572400  0.43415749  0.06572400  1.0
  Ta  Ta3  1  0.06620163  0.06786925  0.43296506  1.0
  Ta  Ta4  1  0.43296506  0.06786925  0.43296506  1.0
  Ta  Ta5  1  0.43439350  0.43415749  0.06572400  1.0
  Ta  Ta6  1  0.18427600  0.81584251  0.18427600  1.0
  Ta  Ta7  1  0.81703494  0.18213075  0.81703494  1.0
  Ta  Ta8  1  0.81703494  0.18213075  0.18379837  1.0
  Ta  Ta9  1  0.18379837  0.18213075  0.81703494  1.0
  Ta  Ta10  1  0.18427600  0.81584251  0.81560650  1.0
  Ta  Ta11  1  0.81560650  0.81584251  0.18427600  1.0
  Ta  Ta12  1  0.62500000  0.62500000  0.62500000  1.0
  Ta  Ta13  1  0.62500000  0.62500000  0.12500000  1.0
  Ta  Ta14  1  0.12500000  0.62500000  0.62500000  1.0
  Ta  Ta15  1  0.62500000  0.12500000  0.62500000  1.0
  Ni  Ni16  1  0.82963525  0.83098925  0.82963525  1.0
  Ni  Ni17  1  0.82963525  0.83098925  0.50973825  1.0
  Ni  Ni18  1  0.50973825  0.83098925  0.82963525  1.0
  Ni  Ni19  1  0.83068316  0.50795052  0.83068316  1.0
  Ni  Ni20  1  0.42036475  0.41901075  0.42036475  1.0
  Ni  Ni21  1  0.42036475  0.41901075  0.74026175  1.0
  Ni  Ni22  1  0.41931684  0.74204948  0.41931684  1.0
  Ni  Ni23  1  0.74026175  0.41901075  0.42036475  1.0
  C  C24  1  0.12500000  0.62500000  0.12500000  1.0
  N  N25  1  0.62500000  0.12500000  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