# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89006241
_cell_length_b   4.53211338
_cell_length_c   18.03159219
_cell_angle_alpha   82.97359298
_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   234.40569054
_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  0.93603538  0.99688547  1.0
  Co  Co1  1  -0.00000000  0.97283910  0.24902954  1.0
  Co  Co2  1  0.00000000  0.01050073  0.50094875  1.0
  Co  Co3  1  -0.00000000  0.04576352  0.75248727  1.0
  Co  Co4  1  0.50000000  0.45508890  0.12297332  1.0
  Co  Co5  1  0.50000000  0.49269073  0.37498112  1.0
  Co  Co6  1  0.50000000  0.52778333  0.62690582  1.0
  Co  Co7  1  0.50000000  0.55512941  0.87495195  1.0
  O  O8  1  0.50000000  0.80045316  0.94827649  1.0
  O  O9  1  -0.00000000  0.62685155  0.07024003  1.0
  O  O10  1  0.00000000  0.71758596  0.57741341  1.0
  O  O11  1  -0.00000000  0.75668847  0.82992594  1.0
  O  O12  1  -0.00000000  0.68078896  0.32490565  1.0
  O  O13  1  0.00000000  0.26498473  0.17241122  1.0
  O  O14  1  0.00000000  0.30296727  0.42429903  1.0
  O  O15  1  0.00000000  0.34069825  0.67695529  1.0
  F  F16  1  0.50000000  0.77107714  0.19896112  1.0
  F  F17  1  0.50000000  0.80887418  0.45211399  1.0
  F  F18  1  0.50000000  0.84714745  0.70447743  1.0
  F  F19  1  0.00000000  0.31354402  0.92490475  1.0
  F  F20  1  0.50000000  0.12350024  0.04610451  1.0
  F  F21  1  0.50000000  0.17434577  0.29721560  1.0
  F  F22  1  0.50000000  0.21204023  0.54997675  1.0
  F  F23  1  0.50000000  0.26261951  0.80265554  1.0