# generated using pymatgen
data_Ti(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40208894
_cell_length_b   5.47690668
_cell_length_c   7.50773607
_cell_angle_alpha   68.75907067
_cell_angle_beta   77.09923588
_cell_angle_gamma   62.94373850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NiN)4
_chemical_formula_sum   'Ti2 Ni8 N8'
_cell_volume   183.92280212
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.26508700  0.42236700  0.77598900  1
  Ti  Ti1  1  0.73491300  0.57763300  0.22401100  1
  Ni  Ni2  1  0.32125700  0.18268300  0.18928000  1
  Ni  Ni3  1  0.67874300  0.81731700  0.81072000  1
  Ni  Ni4  1  0.20097700  0.87468200  0.92804700  1
  Ni  Ni5  1  0.79902300  0.12531800  0.07195300  1
  Ni  Ni6  1  0.24958100  0.97271400  0.54825100  1
  Ni  Ni7  1  0.75041900  0.02728600  0.45174900  1
  Ni  Ni8  1  0.78018600  0.42295400  0.62744200  1
  Ni  Ni9  1  0.21981400  0.57704600  0.37255800  1
  N  N10  1  0.97003000  0.65846100  0.59905800  1
  N  N11  1  0.02997000  0.34153900  0.40094200  1
  N  N12  1  0.12962300  0.18284800  0.01389900  1
  N  N13  1  0.87037700  0.81715200  0.98610100  1
  N  N14  1  0.43837100  0.67644400  0.75961200  1
  N  N15  1  0.56162900  0.32355600  0.24038800  1
  N  N16  1  0.40782500  0.80078800  0.35661000  1
  N  N17  1  0.59217500  0.19921200  0.64339000  1
