# generated using pymatgen
data_Ti(Nb2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22348163
_cell_length_b   5.22348288
_cell_length_c   10.32169467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(Nb2N3)2
_chemical_formula_sum   'Ti2 Nb8 N12'
_cell_volume   243.89440595
_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  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.00000000  1.0
  Nb  Nb4  1  0.67695184  0.00000000  0.75000000  1.0
  Nb  Nb5  1  0.67695184  0.67695184  0.25000000  1.0
  Nb  Nb6  1  1.00000000  0.32304816  0.25000000  1.0
  Nb  Nb7  1  0.00000000  0.67695184  0.75000000  1.0
  Nb  Nb8  1  0.32304816  0.32304816  0.75000000  1.0
  Nb  Nb9  1  0.32304816  1.00000000  0.25000000  1.0
  N  N10  1  0.34253572  0.34745087  0.38028338  1.0
  N  N11  1  0.65254913  0.99508585  0.38028338  1.0
  N  N12  1  0.00491415  0.65746428  0.38028338  1.0
  N  N13  1  0.99508585  0.34253572  0.88028338  1.0
  N  N14  1  0.65746428  0.00491415  0.11971662  1.0
  N  N15  1  0.65746428  0.65254913  0.88028338  1.0
  N  N16  1  0.34745087  0.00491415  0.88028338  1.0
  N  N17  1  0.65254913  0.65746428  0.61971662  1.0
  N  N18  1  0.00491415  0.34745087  0.61971662  1.0
  N  N19  1  0.99508585  0.65254913  0.11971662  1.0
  N  N20  1  0.34253572  0.99508585  0.61971662  1.0
  N  N21  1  0.34745087  0.34253572  0.11971662  1.0