# generated using pymatgen
data_LiFeCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44823200
_cell_length_b   6.61236900
_cell_length_c   10.53650727
_cell_angle_alpha   81.91013847
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeCO4
_chemical_formula_sum   'Li4 Fe4 C4 O16'
_cell_volume   375.80785012
_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  0.65037100  0.88360000  0.79322300  1
  Li  Li1  1  0.84962900  0.88360000  0.29322300  1
  Li  Li2  1  0.15037100  0.11640000  0.70677700  1
  Li  Li3  1  0.34962900  0.11640000  0.20677700  1
  Fe  Fe4  1  0.86030900  0.48658500  0.84580800  1
  Fe  Fe5  1  0.36030900  0.51341500  0.65419200  1
  Fe  Fe6  1  0.63969100  0.48658500  0.34580800  1
  Fe  Fe7  1  0.13969100  0.51341500  0.15419200  1
  C  C8  1  0.19001800  0.79679700  0.92542800  1
  C  C9  1  0.30998200  0.79679700  0.42542800  1
  C  C10  1  0.69001800  0.20320300  0.57457200  1
  C  C11  1  0.80998200  0.20320300  0.07457200  1
  O  O12  1  0.29707600  0.91978200  0.84061000  1
  O  O13  1  0.20292400  0.91978200  0.34061000  1
  O  O14  1  0.95689700  0.74231500  0.91089000  1
  O  O15  1  0.54310300  0.74231500  0.41089000  1
  O  O16  1  0.19785000  0.71785100  0.52983100  1
  O  O17  1  0.62546000  0.61388600  0.73425900  1
  O  O18  1  0.30215000  0.71785100  0.02983100  1
  O  O19  1  0.87454000  0.61388600  0.23425900  1
  O  O20  1  0.12546000  0.38611400  0.76574100  1
  O  O21  1  0.69785000  0.28214900  0.97016900  1
  O  O22  1  0.37454000  0.38611400  0.26574100  1
  O  O23  1  0.80215000  0.28214900  0.47016900  1
  O  O24  1  0.45689700  0.25768500  0.58911000  1
  O  O25  1  0.04310300  0.25768500  0.08911000  1
  O  O26  1  0.79707600  0.08021800  0.65939000  1
  O  O27  1  0.70292400  0.08021800  0.15939000  1
