# generated using pymatgen
data_Cu3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54065713
_cell_length_b   5.53504728
_cell_length_c   5.38770919
_cell_angle_alpha   70.58667508
_cell_angle_beta   107.75736870
_cell_angle_gamma   106.39862776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3OF5
_chemical_formula_sum   'Cu6 O2 F10'
_cell_volume   197.84113011
_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  0.66250458  0.62335883  0.69395554  1.0
  Cu  Cu1  1  0.82022143  0.32311936  0.32084998  1.0
  Cu  Cu2  1  0.17977857  0.67688064  0.67915002  1.0
  Cu  Cu3  1  0.33749542  0.37664117  0.30604446  1.0
  Cu  Cu4  1  0.50000000  0.00000000  -0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O6  1  0.65187647  0.33143025  0.98665328  1.0
  O  O7  1  0.34812353  0.66856975  0.01334672  1.0
  F  F8  1  0.99397327  0.76694784  0.79486534  1.0
  F  F9  1  0.72736403  0.87257192  0.91642783  1.0
  F  F10  1  0.65192047  0.91899167  0.38343541  1.0
  F  F11  1  0.98128043  0.28122275  0.67659225  1.0
  F  F12  1  0.64669216  0.42556048  0.44685166  1.0
  F  F13  1  0.35330784  0.57443952  0.55314834  1.0
  F  F14  1  0.01871957  0.71877725  0.32340775  1.0
  F  F15  1  0.34807953  0.08100833  0.61656459  1.0
  F  F16  1  0.27263597  0.12742808  0.08357217  1.0
  F  F17  1  0.00602673  0.23305216  0.20513466  1.0