# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48037300
_cell_length_b   4.48037300
_cell_length_c   6.08598300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOF
_chemical_formula_sum   'Co4 O4 F4'
_cell_volume   122.16845389
_cell_formula_units_Z   4
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  0.47193600  0.47193600  0.00000000  1.0
  Co  Co1  1  0.52806400  0.52806400  0.50000000  1.0
  Co  Co2  1  0.02806400  0.97193600  0.25000000  1.0
  Co  Co3  1  0.97193600  0.02806400  0.75000000  1.0
  O  O4  1  0.68004300  0.31995700  0.75000000  1.0
  O  O5  1  0.81995700  0.81995700  0.50000000  1.0
  O  O6  1  0.18004300  0.18004300  0.00000000  1.0
  O  O7  1  0.31995700  0.68004300  0.25000000  1.0
  F  F8  1  0.72167000  0.27833000  0.25000000  1.0
  F  F9  1  0.77833000  0.77833000  0.00000000  1.0
  F  F10  1  0.22167000  0.22167000  0.50000000  1.0
  F  F11  1  0.27833000  0.72167000  0.75000000  1.0