# generated using pymatgen
data_TiPN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05445986
_cell_length_b   5.05445986
_cell_length_c   2.83485000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.15006519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPN3
_chemical_formula_sum   'Ti1 P1 N3'
_cell_volume   65.01044612
_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
  Ti  Ti0  1  0.42105000  0.57895000  0.00000000  1.0
  P  P1  1  0.07450000  0.92550000  0.50000000  1.0
  N  N2  1  0.71861000  0.77223000  0.50000000  1.0
  N  N3  1  0.18612000  0.81388000  0.00000000  1.0
  N  N4  1  0.22777000  0.28139000  0.50000000  1.0