# generated using pymatgen
data_LiBC2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52580200
_cell_length_b   6.47505100
_cell_length_c   6.63725851
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.44604430
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBC2(O2F)2
_chemical_formula_sum   'Li2 B2 C4 O8 F4'
_cell_volume   244.22703045
_cell_formula_units_Z   2
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
  Li  Li0  1  0.03334600  0.25000000  0.06669200  1
  Li  Li1  1  0.96665400  0.75000000  0.93330800  1
  B  B2  1  0.60128900  0.25000000  0.20257700  1
  B  B3  1  0.39871100  0.75000000  0.79742300  1
  C  C4  1  0.79015400  0.13200000  0.58030700  1
  C  C5  1  0.20984600  0.86800000  0.41969300  1
  C  C6  1  0.79015400  0.36799900  0.58030700  1
  C  C7  1  0.20984600  0.63200000  0.41969300  1
  O  O8  1  0.87991000  0.03038600  0.75981900  1
  O  O9  1  0.12009000  0.96961400  0.24018100  1
  O  O10  1  0.87991000  0.46961400  0.75981900  1
  O  O11  1  0.12009000  0.53038600  0.24018100  1
  O  O12  1  0.68303400  0.06465300  0.36606800  1
  O  O13  1  0.31696600  0.93534700  0.63393200  1
  O  O14  1  0.68303400  0.43534700  0.36606800  1
  O  O15  1  0.31696600  0.56465300  0.63393200  1
  F  F16  1  0.71128000  0.25000000  0.06872500  1
  F  F17  1  0.64255500  0.75000000  0.93127500  1
  F  F18  1  0.28872000  0.75000000  0.93127500  1
  F  F19  1  0.35744600  0.25000000  0.06872500  1
