# generated using pymatgen
data_TiCuNO4F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52927900
_cell_length_b   6.52927900
_cell_length_c   8.64643700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuNO4F7
_chemical_formula_sum   'Ti2 Cu2 N2 O8 F14'
_cell_volume   368.61044287
_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  0.00000000  0.50000000  0.82454300  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.17545700  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.33896700  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.66103300  1.0
  N  N4  1  0.50000000  0.50000000  0.00000000  1.0
  N  N5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.73012000  0.55639100  0.32201300  1.0
  O  O7  1  0.26988000  0.44360900  0.32201300  1.0
  O  O8  1  0.05639100  0.76988000  0.32201300  1.0
  O  O9  1  0.94360900  0.23012000  0.32201300  1.0
  O  O10  1  0.76988000  0.94360900  0.67798700  1.0
  O  O11  1  0.23012000  0.05639100  0.67798700  1.0
  O  O12  1  0.44360900  0.73012000  0.67798700  1.0
  O  O13  1  0.55639100  0.26988000  0.67798700  1.0
  F  F14  1  0.00000000  0.50000000  0.60668600  1.0
  F  F15  1  0.50000000  0.00000000  0.39331400  1.0
  F  F16  1  0.00000000  0.50000000  0.03842100  1.0
  F  F17  1  0.50000000  0.00000000  0.96157900  1.0
  F  F18  1  0.73568200  0.62597000  0.82440100  1.0
  F  F19  1  0.26431800  0.37403000  0.82440100  1.0
  F  F20  1  0.12597000  0.76431800  0.82440100  1.0
  F  F21  1  0.87403000  0.23568200  0.82440100  1.0
  F  F22  1  0.76431800  0.87403000  0.17559900  1.0
  F  F23  1  0.23568200  0.12597000  0.17559900  1.0
  F  F24  1  0.37403000  0.73568200  0.17559900  1.0
  F  F25  1  0.62597000  0.26431800  0.17559900  1.0
  F  F26  1  0.50000000  0.50000000  0.50000000  1.0
  F  F27  1  0.00000000  0.00000000  0.50000000  1.0