# generated using pymatgen
data_LiFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85516300
_cell_length_b   5.85516300
_cell_length_c   8.12284200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeCoO4
_chemical_formula_sum   'Li4 Fe4 Co4 O16'
_cell_volume   278.47485420
_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  0.00000000  0.23673800  0.00000000  1
  Li  Li1  1  0.00000000  0.76326200  0.50000000  1
  Li  Li2  1  0.23673800  0.00000000  0.25000000  1
  Li  Li3  1  0.76326200  0.00000000  0.75000000  1
  Fe  Fe4  1  0.25389100  0.25389100  0.62500000  1
  Fe  Fe5  1  0.25389100  0.74610900  0.87500000  1
  Fe  Fe6  1  0.74610900  0.25389100  0.37500000  1
  Fe  Fe7  1  0.74610900  0.74610900  0.12500000  1
  Co  Co8  1  0.24062200  0.50000000  0.25000000  1
  Co  Co9  1  0.50000000  0.24062200  0.00000000  1
  Co  Co10  1  0.50000000  0.75937800  0.50000000  1
  Co  Co11  1  0.75937800  0.50000000  0.75000000  1
  O  O12  1  0.02019200  0.27044500  0.25715100  1
  O  O13  1  0.02019200  0.72955500  0.24284900  1
  O  O14  1  0.27044500  0.02019200  0.99284900  1
  O  O15  1  0.27044500  0.97980800  0.50715100  1
  O  O16  1  0.26587700  0.48146300  0.01921200  1
  O  O17  1  0.26587700  0.51853700  0.48078800  1
  O  O18  1  0.48146300  0.26587700  0.23078800  1
  O  O19  1  0.48146300  0.73412300  0.26921200  1
  O  O20  1  0.51853700  0.26587700  0.76921200  1
  O  O21  1  0.51853700  0.73412300  0.73078800  1
  O  O22  1  0.73412300  0.51853700  0.51921200  1
  O  O23  1  0.73412300  0.48146300  0.98078800  1
  O  O24  1  0.72955500  0.02019200  0.00715100  1
  O  O25  1  0.72955500  0.97980800  0.49284900  1
  O  O26  1  0.97980800  0.27044500  0.74284900  1
  O  O27  1  0.97980800  0.72955500  0.75715100  1
