# generated using pymatgen
data_CsTiCuOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45688822
_cell_length_b   7.45688822
_cell_length_c   7.45688822
_cell_angle_alpha   121.51748851
_cell_angle_beta   121.44322528
_cell_angle_gamma   87.45453021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTiCuOF5
_chemical_formula_sum   'Cs2 Ti2 Cu2 O2 F10'
_cell_volume   286.32823149
_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
  Cs  Cs0  1  0.62697800  0.37697800  0.25000000  1.0
  Cs  Cs1  1  0.37302200  0.62302200  0.75000000  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.04183000  0.29183000  0.75000000  1.0
  O  O7  1  0.95817000  0.70817000  0.25000000  1.0
  F  F8  1  0.31467000  0.08163200  0.64879100  1.0
  F  F9  1  0.31421600  0.06421600  0.25000000  1.0
  F  F10  1  0.93284100  0.08163200  0.26696200  1.0
  F  F11  1  0.31467000  0.66587900  0.23303800  1.0
  F  F12  1  0.06715900  0.33412100  0.14879100  1.0
  F  F13  1  0.93284100  0.66587900  0.85120900  1.0
  F  F14  1  0.06715900  0.91836800  0.73303800  1.0
  F  F15  1  0.68533000  0.33412100  0.76696200  1.0
  F  F16  1  0.68533000  0.91836800  0.35120900  1.0
  F  F17  1  0.68578400  0.93578400  0.75000000  1.0