# generated using pymatgen
data_LiFeCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16310900
_cell_length_b   9.34797800
_cell_length_c   9.35478600
_cell_angle_alpha   90.00000000
_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   276.60861143
_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  0.25000000  0.30843400  0.90125400  1
  Li  Li1  1  0.75000000  0.80843400  0.59874600  1
  Li  Li2  1  0.25000000  0.19156600  0.40125400  1
  Li  Li3  1  0.75000000  0.69156600  0.09874600  1
  Fe  Fe4  1  0.25000000  0.93008200  0.88541500  1
  Fe  Fe5  1  0.75000000  0.43008200  0.61458500  1
  Fe  Fe6  1  0.25000000  0.56991800  0.38541500  1
  Fe  Fe7  1  0.75000000  0.06991800  0.11458500  1
  C  C8  1  0.25000000  0.62668700  0.83644900  1
  C  C9  1  0.75000000  0.12668700  0.66355100  1
  C  C10  1  0.25000000  0.87331300  0.33644900  1
  C  C11  1  0.75000000  0.37331300  0.16355100  1
  O  O12  1  0.25000000  0.11509000  0.99586000  1
  O  O13  1  0.25000000  0.62759100  0.97052800  1
  O  O14  1  0.25000000  0.50238800  0.76416700  1
  O  O15  1  0.25000000  0.74548200  0.76099700  1
  O  O16  1  0.75000000  0.24548200  0.73900300  1
  O  O17  1  0.75000000  0.00238800  0.73583300  1
  O  O18  1  0.75000000  0.12759100  0.52947200  1
  O  O19  1  0.75000000  0.61509000  0.50414000  1
  O  O20  1  0.25000000  0.38491000  0.49586000  1
  O  O21  1  0.25000000  0.87240900  0.47052800  1
  O  O22  1  0.25000000  0.99761200  0.26416700  1
  O  O23  1  0.25000000  0.75451800  0.26099700  1
  O  O24  1  0.75000000  0.25451800  0.23900300  1
  O  O25  1  0.75000000  0.49761200  0.23583300  1
  O  O26  1  0.75000000  0.37240900  0.02947200  1
  O  O27  1  0.75000000  0.88491000  0.00414000  1
