# generated using pymatgen
data_Li6Fe2P(CO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45095264
_cell_length_b   9.45095264
_cell_length_c   9.43891509
_cell_angle_alpha   60.07595667
_cell_angle_beta   60.07595667
_cell_angle_gamma   89.93136851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe2P(CO4)4
_chemical_formula_sum   'Li12 Fe4 P2 C8 O32'
_cell_volume   597.87361131
_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  0.82173800  0.17826200  0.75000000  1
  Li  Li1  1  0.42948600  0.17725900  0.74813700  1
  Li  Li2  1  0.82317200  0.57040500  0.35476100  1
  Li  Li3  1  0.42959500  0.17682800  0.14523900  1
  Li  Li4  1  0.57354700  0.42645300  0.25000000  1
  Li  Li5  1  0.17725900  0.42948600  0.24813700  1
  Li  Li6  1  0.82274100  0.57051400  0.75186300  1
  Li  Li7  1  0.42645300  0.57354700  0.75000000  1
  Li  Li8  1  0.17682800  0.42959500  0.64523900  1
  Li  Li9  1  0.57040500  0.82317200  0.85476100  1
  Li  Li10  1  0.17826200  0.82173800  0.25000000  1
  Li  Li11  1  0.57051400  0.82274100  0.25186300  1
  Fe  Fe12  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe13  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe14  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe15  1  0.00000000  0.50000000  0.00000000  1
  P  P16  1  0.37548300  0.62451700  0.25000000  1
  P  P17  1  0.62451700  0.37548300  0.75000000  1
  C  C18  1  0.22043800  0.16365900  0.55952700  1
  C  C19  1  0.21983300  0.77679300  0.94595800  1
  C  C20  1  0.83634100  0.77956200  0.94047300  1
  C  C21  1  0.22320700  0.78016700  0.55404200  1
  C  C22  1  0.77679300  0.21983300  0.44595800  1
  C  C23  1  0.16365900  0.22043800  0.05952700  1
  C  C24  1  0.78016700  0.22320700  0.05404200  1
  C  C25  1  0.77956200  0.83634100  0.44047300  1
  O  O26  1  0.44223300  0.82584700  0.11562700  1
  O  O27  1  0.44267000  0.55809600  0.38363900  1
  O  O28  1  0.17415300  0.55776700  0.38437300  1
  O  O29  1  0.44190400  0.55733000  0.11636100  1
  O  O30  1  0.08681700  0.15903600  0.70669900  1
  O  O31  1  0.36415500  0.17385300  0.54080400  1
  O  O32  1  0.20453100  0.91249700  0.95279900  1
  O  O33  1  0.20372500  0.16008300  0.43175000  1
  O  O34  1  0.83991700  0.79627500  0.06825000  1
  O  O35  1  0.84096400  0.91318300  0.79330100  1
  O  O36  1  0.36409800  0.78708500  0.80853900  1
  O  O37  1  0.09027800  0.63490600  0.08138600  1
  O  O38  1  0.36509400  0.90972200  0.41861400  1
  O  O39  1  0.82614700  0.63584400  0.95919600  1
  O  O40  1  0.08750300  0.79546900  0.54720100  1
  O  O41  1  0.78708500  0.36409800  0.30853900  1
  O  O42  1  0.21291500  0.63590200  0.69146100  1
  O  O43  1  0.91249700  0.20453100  0.45279900  1
  O  O44  1  0.17385300  0.36415500  0.04080400  1
  O  O45  1  0.63490600  0.09027800  0.58138600  1
  O  O46  1  0.90972200  0.36509400  0.91861400  1
  O  O47  1  0.63590200  0.21291500  0.19146100  1
  O  O48  1  0.15903600  0.08681700  0.20669900  1
  O  O49  1  0.16008300  0.20372500  0.93175000  1
  O  O50  1  0.79627500  0.83991700  0.56825000  1
  O  O51  1  0.79546900  0.08750300  0.04720100  1
  O  O52  1  0.63584400  0.82614700  0.45919600  1
  O  O53  1  0.91318300  0.84096400  0.29330100  1
  O  O54  1  0.55809600  0.44267000  0.88363900  1
  O  O55  1  0.82584700  0.44223300  0.61562700  1
  O  O56  1  0.55733000  0.44190400  0.61636100  1
  O  O57  1  0.55776700  0.17415300  0.88437300  1
