# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89012000
_cell_length_b   4.71035900
_cell_length_c   13.95811554
_cell_angle_alpha   85.69156018
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOF
_chemical_formula_sum   'Co6 O6 F6'
_cell_volume   189.48186598
_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
  Co  Co0  1  0.00000000  0.08440400  0.83519600  1.0
  Co  Co1  1  0.00000000  0.91559600  0.16480400  1.0
  Co  Co2  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co4  1  0.50000000  0.46662500  0.32898300  1.0
  Co  Co5  1  0.50000000  0.53337500  0.67101700  1.0
  O  O6  1  0.50000000  0.76050900  0.10374700  1.0
  O  O7  1  0.00000000  0.71485000  0.60656600  1.0
  O  O8  1  0.00000000  0.63668600  0.26328200  1.0
  O  O9  1  0.00000000  0.28515000  0.39343400  1.0
  O  O10  1  0.00000000  0.36331400  0.73671800  1.0
  O  O11  1  0.50000000  0.23949100  0.89625300  1.0
  F  F12  1  0.50000000  0.88993900  0.77236600  1.0
  F  F13  1  0.50000000  0.78963300  0.43376600  1.0
  F  F14  1  0.00000000  0.74877000  0.92995000  1.0
  F  F15  1  0.00000000  0.25123000  0.07005000  1.0
  F  F16  1  0.50000000  0.11006100  0.22763400  1.0
  F  F17  1  0.50000000  0.21036700  0.56623400  1.0