# generated using pymatgen
data_Cu3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53355400
_cell_length_b   5.87940589
_cell_length_c   6.97849742
_cell_angle_alpha   76.31030106
_cell_angle_beta   73.18834134
_cell_angle_gamma   72.54601082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3OF5
_chemical_formula_sum   'Cu6 O2 F10'
_cell_volume   204.51568326
_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
  Cu  Cu0  1  0.99572100  0.99976000  0.99673100  1.0
  Cu  Cu1  1  0.98227000  0.98041200  0.49932700  1.0
  Cu  Cu2  1  0.67569100  0.67286500  0.34128300  1.0
  Cu  Cu3  1  0.65397000  0.65260100  0.82101800  1.0
  Cu  Cu4  1  0.33639800  0.33744200  0.15487800  1.0
  Cu  Cu5  1  0.33945100  0.33687000  0.67668000  1.0
  O  O6  1  0.76384200  0.75741300  0.53956100  1.0
  O  O7  1  0.43153400  0.43407200  0.87363800  1.0
  F  F8  1  0.89527400  0.89397600  0.79932600  1.0
  F  F9  1  0.58482900  0.58597800  0.12784800  1.0
  F  F10  1  0.35275200  0.94992800  0.84513500  1.0
  F  F11  1  0.31642200  0.72551800  0.48432900  1.0
  F  F12  1  0.98320500  0.38005700  0.82256100  1.0
  F  F13  1  0.03087300  0.61600500  0.18091600  1.0
  F  F14  1  0.69065100  0.28008800  0.51922600  1.0
  F  F15  1  0.63645000  0.05900000  0.15116100  1.0
  F  F16  1  0.24282300  0.24752300  0.45830400  1.0
  F  F17  1  0.08784400  0.09049000  0.20807600  1.0