# generated using pymatgen
data_TiH2N2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80956500
_cell_length_b   6.24676000
_cell_length_c   11.05202155
_cell_angle_alpha   89.74257818
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiH2N2OF4
_chemical_formula_sum   'Ti4 H8 N8 O4 F16'
_cell_volume   539.16166312
_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  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.50000000  1.0
  H  H4  1  0.35951300  0.42978100  0.25095200  1.0
  H  H5  1  0.85951300  0.57021900  0.74904800  1.0
  H  H6  1  0.64048700  0.57021900  0.74904800  1.0
  H  H7  1  0.14048700  0.42978100  0.25095200  1.0
  H  H8  1  0.25000000  0.55130600  0.14012800  1.0
  H  H9  1  0.75000000  0.44869400  0.85987200  1.0
  H  H10  1  0.25000000  0.28407900  0.14813700  1.0
  H  H11  1  0.75000000  0.71592100  0.85186300  1.0
  N  N12  1  0.25000000  0.42357300  0.19864700  1.0
  N  N13  1  0.75000000  0.57642700  0.80135300  1.0
  N  N14  1  0.25000000  0.91128900  0.31083100  1.0
  N  N15  1  0.75000000  0.08871100  0.68916900  1.0
  N  N16  1  0.25000000  0.50910800  0.85932200  1.0
  N  N17  1  0.75000000  0.49089200  0.14067800  1.0
  N  N18  1  0.25000000  0.00222000  0.63894200  1.0
  N  N19  1  0.75000000  0.99778000  0.36105800  1.0
  O  O20  1  0.25000000  0.07988200  0.01599100  1.0
  O  O21  1  0.75000000  0.92011800  0.98400900  1.0
  O  O22  1  0.25000000  0.58006100  0.48568200  1.0
  O  O23  1  0.75000000  0.41993900  0.51431800  1.0
  F  F24  1  0.44803000  0.23442000  0.43618700  1.0
  F  F25  1  0.94803000  0.76558000  0.56381300  1.0
  F  F26  1  0.55197000  0.76558000  0.56381300  1.0
  F  F27  1  0.05197000  0.23442000  0.43618700  1.0
  F  F28  1  0.44917300  0.73105700  0.06393600  1.0
  F  F29  1  0.94917300  0.26894300  0.93606400  1.0
  F  F30  1  0.55082700  0.26894300  0.93606400  1.0
  F  F31  1  0.05082700  0.73105700  0.06393600  1.0
  F  F32  1  0.46911000  0.89613800  0.84363200  1.0
  F  F33  1  0.96911000  0.10386200  0.15636800  1.0
  F  F34  1  0.53089000  0.10386200  0.15636800  1.0
  F  F35  1  0.03089000  0.89613800  0.84363200  1.0
  F  F36  1  0.03309200  0.39921900  0.65773800  1.0
  F  F37  1  0.53309200  0.60078100  0.34226200  1.0
  F  F38  1  0.96690800  0.60078100  0.34226200  1.0
  F  F39  1  0.46690800  0.39921900  0.65773800  1.0