# generated using pymatgen
data_Cu4OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86611600
_cell_length_b   6.86611600
_cell_length_c   5.14219300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4OF6
_chemical_formula_sum   'Cu8 O2 F12'
_cell_volume   242.42122728
_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  0.00000000  0.24379900  0.31458600  1.0
  Cu  Cu1  1  0.74379900  0.50000000  0.81458600  1.0
  Cu  Cu2  1  0.25620100  0.50000000  0.81458600  1.0
  Cu  Cu3  1  0.00000000  0.75620100  0.31458600  1.0
  Cu  Cu4  1  0.50000000  0.74379900  0.18541400  1.0
  Cu  Cu5  1  0.24379900  0.00000000  0.68541400  1.0
  Cu  Cu6  1  0.75620100  0.00000000  0.68541400  1.0
  Cu  Cu7  1  0.50000000  0.25620100  0.18541400  1.0
  O  O8  1  0.50000000  0.50000000  0.00000000  1.0
  O  O9  1  0.00000000  0.00000000  0.50000000  1.0
  F  F10  1  0.71090100  0.28909900  0.50000000  1.0
  F  F11  1  0.28909900  0.28909900  0.50000000  1.0
  F  F12  1  0.00000000  0.50000000  0.67481100  1.0
  F  F13  1  0.00000000  0.50000000  0.17481100  1.0
  F  F14  1  0.28909900  0.71090100  0.50000000  1.0
  F  F15  1  0.71090100  0.71090100  0.50000000  1.0
  F  F16  1  0.78909900  0.78909900  0.00000000  1.0
  F  F17  1  0.21090100  0.78909900  0.00000000  1.0
  F  F18  1  0.50000000  0.00000000  0.82518900  1.0
  F  F19  1  0.50000000  0.00000000  0.32518900  1.0
  F  F20  1  0.78909900  0.21090100  0.00000000  1.0
  F  F21  1  0.21090100  0.21090100  0.00000000  1.0