# generated using pymatgen
data_Cu3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38525500
_cell_length_b   5.74088479
_cell_length_c   7.23326816
_cell_angle_alpha   78.61287700
_cell_angle_beta   74.90887674
_cell_angle_gamma   74.85619016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3OF5
_chemical_formula_sum   'Cu6 O2 F10'
_cell_volume   206.39523918
_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  0.31179600  0.30881100  0.16109000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.34034500  0.34343400  0.66976500  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.65965500  0.65656600  0.33023500  1.0
  Cu  Cu5  1  0.68820400  0.69118900  0.83891000  1.0
  O  O6  1  0.09201400  0.09186900  0.20482000  1.0
  O  O7  1  0.90798600  0.90813100  0.79518000  1.0
  F  F8  1  0.46007000  0.46445200  0.84926300  1.0
  F  F9  1  0.53993000  0.53554800  0.15073700  1.0
  F  F10  1  0.01476100  0.59759300  0.17584100  1.0
  F  F11  1  0.36627400  0.95694500  0.85696500  1.0
  F  F12  1  0.63372600  0.04305500  0.14303500  1.0
  F  F13  1  0.22785500  0.22389900  0.48802300  1.0
  F  F14  1  0.68991800  0.28130800  0.51582100  1.0
  F  F15  1  0.98523900  0.40240700  0.82415900  1.0
  F  F16  1  0.31008200  0.71869200  0.48417900  1.0
  F  F17  1  0.77214500  0.77610100  0.51197700  1.0