# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99359500
_cell_length_b   4.64884900
_cell_length_c   13.87583083
_cell_angle_alpha   84.71632054
_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   192.28624525
_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  0.94318900  0.00078500  1.0
  Co  Co1  1  0.00000000  0.99017400  0.33357700  1.0
  Co  Co2  1  0.00000000  0.03269000  0.66659700  1.0
  Co  Co3  1  0.50000000  0.47131300  0.16820600  1.0
  Co  Co4  1  0.50000000  0.50707200  0.49911100  1.0
  Co  Co5  1  0.50000000  0.55807500  0.83307500  1.0
  O  O6  1  0.50000000  0.78739400  0.93498100  1.0
  O  O7  1  0.00000000  0.73060400  0.76665400  1.0
  O  O8  1  0.00000000  0.66080800  0.10315900  1.0
  O  O9  1  0.00000000  0.68966500  0.43575500  1.0
  O  O10  1  0.00000000  0.33017700  0.56507100  1.0
  O  O11  1  0.00000000  0.28430900  0.23073000  1.0
  F  F12  1  0.50000000  0.78828400  0.26875300  1.0
  F  F13  1  0.50000000  0.83713900  0.60145800  1.0
  F  F14  1  0.00000000  0.29761100  0.89813800  1.0
  F  F15  1  0.50000000  0.16514000  0.06138600  1.0
  F  F16  1  0.50000000  0.19122700  0.39819600  1.0
  F  F17  1  0.50000000  0.23512900  0.73436900  1.0