# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90599600
_cell_length_b   4.72720600
_cell_length_c   18.48666645
_cell_angle_alpha   88.40971085
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOF
_chemical_formula_sum   'Co8 O8 F8'
_cell_volume   253.85799041
_cell_formula_units_Z   8
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
  Co  Co0  1  0.00000000  0.05733900  0.62692600  1.0
  Co  Co1  1  0.00000000  0.94266100  0.37307400  1.0
  Co  Co2  1  0.00000000  0.92941100  0.12677300  1.0
  Co  Co3  1  0.00000000  0.07058900  0.87322700  1.0
  Co  Co4  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.50000000  0.36982200  0.24953100  1.0
  Co  Co6  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co7  1  0.50000000  0.63017800  0.75046900  1.0
  O  O8  1  0.50000000  0.77019700  0.42169800  1.0
  O  O9  1  0.50000000  0.89897500  0.67734900  1.0
  O  O10  1  0.00000000  0.65671500  0.04825300  1.0
  O  O11  1  0.00000000  0.78991600  0.79634800  1.0
  O  O12  1  0.00000000  0.21008400  0.20365200  1.0
  O  O13  1  0.00000000  0.34328500  0.95174700  1.0
  O  O14  1  0.50000000  0.22980300  0.57830200  1.0
  O  O15  1  0.50000000  0.10102500  0.32265100  1.0
  F  F16  1  0.50000000  0.69261100  0.17874900  1.0
  F  F17  1  0.50000000  0.85028900  0.92352900  1.0
  F  F18  1  0.00000000  0.71572800  0.54954000  1.0
  F  F19  1  0.00000000  0.57041800  0.29666500  1.0
  F  F20  1  0.00000000  0.28427200  0.45046000  1.0
  F  F21  1  0.00000000  0.42958200  0.70333500  1.0
  F  F22  1  0.50000000  0.14971100  0.07647100  1.0
  F  F23  1  0.50000000  0.30738900  0.82125100  1.0