# generated using pymatgen
data_TiH2N2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23023031
_cell_length_b   8.19990012
_cell_length_c   11.78959335
_cell_angle_alpha   89.99319102
_cell_angle_beta   80.81721219
_cell_angle_gamma   89.98650082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiH2N2OF4
_chemical_formula_sum   'Ti4 H8 N8 O4 F16'
_cell_volume   594.57917418
_cell_formula_units_Z   4
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  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.50000000  1.0
  H  H4  1  0.40554300  0.35314700  0.26289500  1.0
  H  H5  1  0.59376700  0.85323900  0.73720100  1.0
  H  H6  1  0.59445700  0.64685300  0.73710500  1.0
  H  H7  1  0.40623300  0.14676100  0.26279900  1.0
  H  H8  1  0.54250800  0.25034100  0.14965400  1.0
  H  H9  1  0.45749200  0.74965900  0.85034600  1.0
  H  H10  1  0.26605200  0.24985300  0.17642400  1.0
  H  H11  1  0.73394800  0.75014700  0.82357600  1.0
  N  N12  1  0.40565900  0.24999200  0.21294200  1.0
  N  N13  1  0.59434100  0.75000800  0.78705800  1.0
  N  N14  1  0.83249500  0.24995100  0.39403200  1.0
  N  N15  1  0.16750500  0.75004900  0.60596800  1.0
  N  N16  1  0.33085300  0.24999500  0.89985900  1.0
  N  N17  1  0.66914600  0.75000500  0.10014100  1.0
  N  N18  1  0.93465900  0.25006500  0.66324800  1.0
  N  N19  1  0.06534100  0.74993500  0.33675200  1.0
  O  O20  1  0.14085000  0.25001400  0.94926200  1.0
  O  O21  1  0.85915000  0.74998500  0.05073800  1.0
  O  O22  1  0.66044800  0.24997900  0.46051300  1.0
  O  O23  1  0.33955200  0.75002100  0.53948700  1.0
  F  F24  1  0.25044600  0.42126100  0.45710400  1.0
  F  F25  1  0.74967800  0.92114800  0.54278700  1.0
  F  F26  1  0.74955400  0.57873900  0.54289600  1.0
  F  F27  1  0.25032200  0.07885200  0.45721300  1.0
  F  F28  1  0.73550200  0.41315200  0.06044100  1.0
  F  F29  1  0.26435600  0.91320600  0.93960500  1.0
  F  F30  1  0.26449800  0.58684800  0.93955900  1.0
  F  F31  1  0.73564400  0.08679400  0.06039500  1.0
  F  F32  1  0.90311300  0.52971200  0.86191700  1.0
  F  F33  1  0.09699800  0.02976500  0.13816900  1.0
  F  F34  1  0.09688700  0.47028800  0.13808300  1.0
  F  F35  1  0.90300200  0.97023500  0.86183100  1.0
  F  F36  1  0.40331300  0.04509000  0.65215500  1.0
  F  F37  1  0.59688600  0.54519300  0.34789600  1.0
  F  F38  1  0.59668700  0.95491000  0.34784500  1.0
  F  F39  1  0.40311400  0.45480700  0.65210400  1.0