# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49173199
_cell_length_b   4.49173199
_cell_length_c   12.24612207
_cell_angle_alpha   89.92674902
_cell_angle_beta   89.92674902
_cell_angle_gamma   90.14794174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOF
_chemical_formula_sum   'Co8 O8 F8'
_cell_volume   247.07232059
_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  0.02172500  0.03269500  0.62485400  1.0
  Co  Co1  1  0.96730500  0.97827500  0.37514600  1.0
  Co  Co2  1  0.01411200  0.04236900  0.12543500  1.0
  Co  Co3  1  0.95763100  0.98588800  0.87456500  1.0
  Co  Co4  1  0.46948900  0.53051100  0.50000000  1.0
  Co  Co5  1  0.51795400  0.48204600  0.00000000  1.0
  Co  Co6  1  0.51808300  0.47823500  0.24987200  1.0
  Co  Co7  1  0.52176500  0.48191700  0.75012800  1.0
  O  O8  1  0.80884800  0.19115200  0.00000000  1.0
  O  O9  1  0.81364700  0.18969000  0.25066900  1.0
  O  O10  1  0.81031000  0.18635300  0.74933100  1.0
  O  O11  1  0.67384800  0.68778300  0.37526000  1.0
  O  O12  1  0.69154600  0.67367000  0.87456600  1.0
  O  O13  1  0.31221700  0.32615200  0.62474000  1.0
  O  O14  1  0.32633000  0.30845400  0.12543400  1.0
  O  O15  1  0.17585200  0.82414800  0.50000000  1.0
  F  F16  1  0.77422400  0.22577600  0.50000000  1.0
  F  F17  1  0.71511900  0.72594300  0.62589200  1.0
  F  F18  1  0.72630000  0.71531500  0.12467600  1.0
  F  F19  1  0.27405700  0.28488100  0.37410800  1.0
  F  F20  1  0.28468500  0.27370000  0.87532400  1.0
  F  F21  1  0.20342200  0.79657800  0.00000000  1.0
  F  F22  1  0.21239000  0.79086000  0.24574100  1.0
  F  F23  1  0.20914000  0.78761000  0.75425900  1.0