# generated using pymatgen
data_Cu3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55532583
_cell_length_b   4.60509854
_cell_length_c   5.96593000
_cell_angle_alpha   87.40046648
_cell_angle_beta   88.72253987
_cell_angle_gamma   90.88273913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3OF5
_chemical_formula_sum   'Cu6 O2 F10'
_cell_volume   207.27956799
_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  0.99990600  0.02628500  0.97295300  1.0
  Cu  Cu1  1  0.98922300  0.47715000  0.50966500  1.0
  Cu  Cu2  1  0.33342800  0.97371500  0.36038000  1.0
  Cu  Cu3  1  0.66666700  0.50000000  0.16666700  1.0
  Cu  Cu4  1  0.34411100  0.52285000  0.82366800  1.0
  Cu  Cu5  1  0.66666700  0.00000000  0.66666700  1.0
  O  O6  1  0.44636700  0.81259200  0.63772100  1.0
  O  O7  1  0.88696600  0.18740800  0.69561200  1.0
  F  F8  1  0.23259800  0.21582800  0.01789800  1.0
  F  F9  1  0.10073500  0.78417200  0.31543500  1.0
  F  F10  1  0.44687400  0.70515100  0.15421000  1.0
  F  F11  1  0.21369400  0.28512000  0.51701000  1.0
  F  F12  1  0.11963900  0.71488000  0.81632300  1.0
  F  F13  1  0.55657700  0.20282800  0.35007600  1.0
  F  F14  1  0.88645900  0.29484900  0.17912300  1.0
  F  F15  1  0.77404500  0.69446300  0.48986100  1.0
  F  F16  1  0.55928800  0.30553700  0.84347200  1.0
  F  F17  1  0.77675600  0.79717200  0.98325700  1.0