# generated using pymatgen
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97702413
_cell_length_b   7.67953511
_cell_length_c   10.00927917
_cell_angle_alpha   88.55774628
_cell_angle_beta   72.39686779
_cell_angle_gamma   91.21208450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(CO3)4
_chemical_formula_sum   'Li2 Fe4 C8 O24'
_cell_volume   510.79263292
_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  0.50356200  0.56349800  0.30541800  1
  Li  Li1  1  0.00182400  0.56424400  0.80483300  1
  Fe  Fe2  1  0.50081400  0.99845300  0.50429700  1
  Fe  Fe3  1  0.49689200  0.50152100  0.98733000  1
  Fe  Fe4  1  0.00054900  0.99852100  0.00433000  1
  Fe  Fe5  1  0.99717200  0.50154800  0.48703100  1
  C  C6  1  0.69650500  0.26685400  0.43785300  1
  C  C7  1  0.19648400  0.26692100  0.93780700  1
  C  C8  1  0.30822700  0.76208800  0.05591200  1
  C  C9  1  0.80837100  0.76207200  0.55606400  1
  C  C10  1  0.20334900  0.24470600  0.44217200  1
  C  C11  1  0.70306300  0.24473000  0.94232500  1
  C  C12  1  0.79347100  0.72895300  0.06918900  1
  C  C13  1  0.29375300  0.72892700  0.56910800  1
  O  O14  1  0.72360100  0.13704700  0.35527800  1
  O  O15  1  0.22327200  0.13706400  0.85529100  1
  O  O16  1  0.79231200  0.41504800  0.39961000  1
  O  O17  1  0.29252900  0.41489200  0.89955800  1
  O  O18  1  0.95050100  0.74641300  0.43709100  1
  O  O19  1  0.45057400  0.74640000  0.93711000  1
  O  O20  1  0.06109500  0.24244800  0.05924200  1
  O  O21  1  0.56115700  0.24241100  0.55928300  1
  O  O22  1  0.20516800  0.89720300  0.08628200  1
  O  O23  1  0.70511700  0.89701000  0.58651800  1
  O  O24  1  0.28208500  0.62597800  0.14064000  1
  O  O25  1  0.78272700  0.62593500  0.64080000  1
  O  O26  1  0.25667000  0.38813000  0.36370200  1
  O  O27  1  0.75627500  0.38813500  0.86383200  1
  O  O28  1  0.30049100  0.10603600  0.41865900  1
  O  O29  1  0.80023300  0.10605600  0.91871000  1
  O  O30  1  0.43166900  0.74568000  0.44664000  1
  O  O31  1  0.93121300  0.74578500  0.94666200  1
  O  O32  1  0.53689800  0.25752000  0.04509200  1
  O  O33  1  0.03698800  0.25754200  0.54486100  1
  O  O34  1  0.67827900  0.59133200  0.10713800  1
  O  O35  1  0.17856800  0.59130300  0.60703200  1
  O  O36  1  0.77889400  0.85866200  0.15056900  1
  O  O37  1  0.27897900  0.85873900  0.65043800  1
