# generated using pymatgen
data_Ti20H2N17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93829528
_cell_length_b   7.93829528
_cell_length_c   16.88928656
_cell_angle_alpha   74.51932580
_cell_angle_beta   74.51932580
_cell_angle_gamma   21.72673289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti20H2N17
_chemical_formula_sum   'Ti20 H2 N17'
_cell_volume   379.15416265
_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  0.30037444  0.30037444  0.92337709  1.0
  Ti  Ti1  1  0.89564575  0.89564575  0.02637365  1.0
  Ti  Ti2  1  0.49962677  0.49962677  0.12849844  1.0
  Ti  Ti3  1  0.10015818  0.10015818  0.22190081  1.0
  Ti  Ti4  1  0.70326946  0.70326946  0.32415926  1.0
  Ti  Ti5  1  0.49654603  0.49654603  0.37666790  1.0
  Ti  Ti6  1  0.09932218  0.09932218  0.47568626  1.0
  Ti  Ti7  1  0.29917072  0.29917072  0.42653463  1.0
  Ti  Ti8  1  0.70082928  0.70082928  0.57346537  1.0
  Ti  Ti9  1  0.90067782  0.90067782  0.52431374  1.0
  Ti  Ti10  1  0.50345397  0.50345397  0.62333210  1.0
  Ti  Ti11  1  0.29673054  0.29673054  0.67584074  1.0
  Ti  Ti12  1  0.09984130  0.09984130  0.72671740  1.0
  Ti  Ti13  1  0.89984182  0.89984182  0.77809919  1.0
  Ti  Ti14  1  0.50037323  0.50037323  0.87150156  1.0
  Ti  Ti15  1  0.69978978  0.69978978  0.82506188  1.0
  Ti  Ti16  1  0.10435425  0.10435425  0.97362635  1.0
  Ti  Ti17  1  0.69962556  0.69962556  0.07662291  1.0
  Ti  Ti18  1  0.30021022  0.30021022  0.17493812  1.0
  Ti  Ti19  1  0.90015870  0.90015870  0.27328260  1.0
  H  H20  1  0.10034307  0.10034307  0.35013269  1.0
  H  H21  1  0.89965693  0.89965693  0.64986731  1.0
  N  N22  1  0.09979925  0.09979925  0.59955416  1.0
  N  N23  1  0.70002241  0.70002241  0.69935553  1.0
  N  N24  1  0.30032094  0.30032094  0.79902014  1.0
  N  N25  1  0.90074008  0.90074008  0.90047591  1.0
  N  N26  1  0.09925992  0.09925992  0.09952409  1.0
  N  N27  1  0.69967906  0.69967906  0.20097986  1.0
  N  N28  1  0.90055870  0.90055870  0.14889307  1.0
  N  N29  1  0.29997759  0.29997759  0.30064447  1.0
  N  N30  1  0.49986363  0.49986363  0.25062553  1.0
  N  N31  1  0.90020075  0.90020075  0.40044584  1.0
  N  N32  1  0.70001503  0.70001503  0.44975531  1.0
  N  N33  1  0.29998497  0.29998497  0.55024469  1.0
  N  N34  1  0.50000000  0.50000000  0.50000000  1.0
  N  N35  1  0.50013637  0.50013637  0.74937447  1.0
  N  N36  1  0.09944130  0.09944130  0.85110693  1.0
  N  N37  1  0.69924774  0.69924774  0.95061478  1.0
  N  N38  1  0.30075226  0.30075226  0.04938522  1.0