# generated using pymatgen
data_Ti3NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14682466
_cell_length_b   5.14682466
_cell_length_c   10.05278800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.72346153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3NO4
_chemical_formula_sum   'Ti6 N2 O8'
_cell_volume   185.90740837
_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  0.64286900  0.35713100  0.42763300  1.0
  Ti  Ti1  1  0.64286900  0.35713100  0.07236700  1.0
  Ti  Ti2  1  0.69825600  0.30174400  0.75000000  1.0
  Ti  Ti3  1  0.35713100  0.64286900  0.92763300  1.0
  Ti  Ti4  1  0.35713100  0.64286900  0.57236700  1.0
  Ti  Ti5  1  0.30174400  0.69825600  0.25000000  1.0
  N  N6  1  0.73115700  0.26884300  0.25000000  1.0
  N  N7  1  0.26884300  0.73115700  0.75000000  1.0
  O  O8  1  0.81518200  0.18481800  0.56264900  1.0
  O  O9  1  0.54713500  0.45286500  0.88038800  1.0
  O  O10  1  0.54713500  0.45286500  0.61961200  1.0
  O  O11  1  0.81518200  0.18481800  0.93735100  1.0
  O  O12  1  0.45286500  0.54713500  0.38038800  1.0
  O  O13  1  0.45286500  0.54713500  0.11961200  1.0
  O  O14  1  0.18481800  0.81518200  0.06264900  1.0
  O  O15  1  0.18481800  0.81518200  0.43735100  1.0