# generated using pymatgen
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47808000
_cell_length_b   4.50485700
_cell_length_c   9.14107023
_cell_angle_alpha   89.80083546
_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   184.40270142
_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  0.96253800  0.22145600  0.91663500  1.0
  Co  Co1  1  0.01679500  0.28049100  0.25022100  1.0
  Co  Co2  1  0.01831500  0.28043400  0.58344200  1.0
  Co  Co3  1  0.46253800  0.77854400  0.08336500  1.0
  Co  Co4  1  0.51679500  0.71950900  0.74977900  1.0
  Co  Co5  1  0.51831500  0.71956600  0.41655800  1.0
  O  O6  1  0.80767500  0.42665700  0.74961500  1.0
  O  O7  1  0.82672200  0.45182900  0.41758900  1.0
  O  O8  1  0.30767500  0.57334300  0.25038500  1.0
  O  O9  1  0.32672200  0.54817100  0.58241100  1.0
  O  O10  1  0.66886500  0.93197700  0.91653600  1.0
  O  O11  1  0.16886500  0.06802300  0.08346400  1.0
  F  F12  1  0.76871400  0.47097000  0.08462200  1.0
  F  F13  1  0.26871400  0.52903000  0.91537800  1.0
  F  F14  1  0.72305800  0.94665000  0.57810900  1.0
  F  F15  1  0.70731700  0.96874600  0.25671100  1.0
  F  F16  1  0.20731700  0.03125400  0.74328900  1.0
  F  F17  1  0.22305800  0.05335000  0.42189100  1.0