# generated using pymatgen
data_LiFeCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93161200
_cell_length_b   6.46656500
_cell_length_c   8.56993500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeCO3F2
_chemical_formula_sum   'Li4 Fe4 C4 O12 F8'
_cell_volume   328.71832130
_cell_formula_units_Z   4
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  0.69923700  0.25000000  0.27186200  1
  Li  Li1  1  0.19923700  0.25000000  0.22813800  1
  Li  Li2  1  0.30076300  0.75000000  0.72813800  1
  Li  Li3  1  0.80076300  0.75000000  0.77186200  1
  Fe  Fe4  1  0.00366300  0.25000000  0.57668300  1
  Fe  Fe5  1  0.50366300  0.25000000  0.92331700  1
  Fe  Fe6  1  0.49633700  0.75000000  0.07668300  1
  Fe  Fe7  1  0.99633700  0.75000000  0.42331700  1
  C  C8  1  0.45923900  0.25000000  0.56000500  1
  C  C9  1  0.95923900  0.25000000  0.93999500  1
  C  C10  1  0.04076100  0.75000000  0.06000500  1
  C  C11  1  0.54076100  0.75000000  0.43999500  1
  O  O12  1  0.80381700  0.25000000  0.04722200  1
  O  O13  1  0.30381700  0.25000000  0.45277800  1
  O  O14  1  0.66517100  0.25000000  0.51847900  1
  O  O15  1  0.16517100  0.25000000  0.98152100  1
  O  O16  1  0.88094800  0.25000000  0.79944100  1
  O  O17  1  0.38094800  0.25000000  0.70055900  1
  O  O18  1  0.83482900  0.75000000  0.01847900  1
  O  O19  1  0.11905200  0.75000000  0.20055900  1
  O  O20  1  0.61905200  0.75000000  0.29944100  1
  O  O21  1  0.33482900  0.75000000  0.48152100  1
  O  O22  1  0.69618300  0.75000000  0.54722200  1
  O  O23  1  0.19618300  0.75000000  0.95277800  1
  F  F24  1  0.45624200  0.05047600  0.14080500  1
  F  F25  1  0.95624200  0.05047600  0.35919500  1
  F  F26  1  0.45624200  0.44952400  0.14080500  1
  F  F27  1  0.95624200  0.44952400  0.35919500  1
  F  F28  1  0.54375800  0.55047600  0.85919500  1
  F  F29  1  0.04375800  0.55047600  0.64080500  1
  F  F30  1  0.04375800  0.94952400  0.64080500  1
  F  F31  1  0.54375800  0.94952400  0.85919500  1
