# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95773800
_cell_length_b   4.59505700
_cell_length_c   13.59395403
_cell_angle_alpha   87.73229307
_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   184.61039538
_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  0.00000000  0.00000000  1.0
  Co  Co1  1  0.00000000  0.94694200  0.32997100  1.0
  Co  Co2  1  0.00000000  0.05305800  0.67002900  1.0
  Co  Co3  1  0.50000000  0.40284200  0.16744800  1.0
  Co  Co4  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.50000000  0.59715800  0.83255200  1.0
  O  O6  1  0.50000000  0.84456000  0.93260400  1.0
  O  O7  1  0.00000000  0.76618400  0.76854800  1.0
  O  O8  1  0.00000000  0.67229900  0.43341400  1.0
  O  O9  1  0.00000000  0.32770100  0.56658600  1.0
  O  O10  1  0.00000000  0.23381600  0.23145200  1.0
  O  O11  1  0.50000000  0.15544000  0.06739600  1.0
  F  F12  1  0.50000000  0.72160200  0.26468400  1.0
  F  F13  1  0.50000000  0.84387800  0.60190700  1.0
  F  F14  1  0.00000000  0.62358600  0.10442500  1.0
  F  F15  1  0.00000000  0.37641400  0.89557500  1.0
  F  F16  1  0.50000000  0.15612200  0.39809300  1.0
  F  F17  1  0.50000000  0.27839800  0.73531600  1.0