# generated using pymatgen
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22404277
_cell_length_b   5.22404277
_cell_length_c   13.95934723
_cell_angle_alpha   88.36202850
_cell_angle_beta   88.36202850
_cell_angle_gamma   60.53685378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2OF2
_chemical_formula_sum   'Cu12 O6 F12'
_cell_volume   331.50896779
_cell_formula_units_Z   6
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  0.04606100  0.93851200  0.65244200  1.0
  Cu  Cu1  1  0.93851200  0.04606100  0.15244200  1.0
  Cu  Cu2  1  0.41686500  0.31034000  0.81746300  1.0
  Cu  Cu3  1  0.36385600  0.33227000  0.51478800  1.0
  Cu  Cu4  1  0.31034000  0.41686500  0.31746300  1.0
  Cu  Cu5  1  0.33227000  0.36385600  0.01478800  1.0
  Cu  Cu6  1  0.66773000  0.63614400  0.98521200  1.0
  Cu  Cu7  1  0.68966000  0.58313500  0.68253700  1.0
  Cu  Cu8  1  0.63614400  0.66773000  0.48521200  1.0
  Cu  Cu9  1  0.58313500  0.68966000  0.18253700  1.0
  Cu  Cu10  1  0.06148800  0.95393900  0.84755800  1.0
  Cu  Cu11  1  0.95393900  0.06148800  0.34755800  1.0
  O  O12  1  0.37668200  0.60781500  0.91179100  1.0
  O  O13  1  0.60781500  0.37668200  0.41179100  1.0
  O  O14  1  0.39218500  0.62331800  0.58820900  1.0
  O  O15  1  0.62331800  0.39218500  0.08820900  1.0
  O  O16  1  0.77543700  0.22456300  0.75000000  1.0
  O  O17  1  0.22456300  0.77543700  0.25000000  1.0
  F  F18  1  0.01944500  0.62846800  0.73679000  1.0
  F  F19  1  0.62846800  0.01944500  0.23679000  1.0
  F  F20  1  0.73203700  0.94012400  0.91795500  1.0
  F  F21  1  0.94012400  0.73203700  0.41795500  1.0
  F  F22  1  0.68694000  0.90459600  0.58597600  1.0
  F  F23  1  0.90459600  0.68694000  0.08597600  1.0
  F  F24  1  0.09540400  0.31306000  0.91402400  1.0
  F  F25  1  0.31306000  0.09540400  0.41402400  1.0
  F  F26  1  0.05987600  0.26796300  0.58204500  1.0
  F  F27  1  0.26796300  0.05987600  0.08204500  1.0
  F  F28  1  0.37153200  0.98055500  0.76321000  1.0
  F  F29  1  0.98055500  0.37153200  0.26321000  1.0