# generated using pymatgen
data_Li3FeAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38415612
_cell_length_b   8.34311445
_cell_length_c   8.67424525
_cell_angle_alpha   86.23357041
_cell_angle_beta   86.53541621
_cell_angle_gamma   104.41483741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeAsCO7
_chemical_formula_sum   'Li12 Fe4 As4 C4 O28'
_cell_volume   584.53852451
_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  0.51914100  0.26877000  0.09679500  1
  Li  Li1  1  0.01903900  0.76875500  0.09667300  1
  Li  Li2  1  0.48086400  0.73125000  0.90323200  1
  Li  Li3  1  0.98091600  0.23120500  0.90332500  1
  Li  Li4  1  0.13718200  0.11929600  0.26732600  1
  Li  Li5  1  0.63709600  0.61919100  0.26736000  1
  Li  Li6  1  0.36566400  0.88765400  0.26964500  1
  Li  Li7  1  0.86557100  0.38784800  0.26985800  1
  Li  Li8  1  0.63446500  0.11232400  0.73030900  1
  Li  Li9  1  0.13449500  0.61215300  0.73010400  1
  Li  Li10  1  0.86283400  0.88061400  0.73276100  1
  Li  Li11  1  0.36300000  0.38074600  0.73275600  1
  Fe  Fe12  1  0.26866000  0.51848600  0.31905300  1
  Fe  Fe13  1  0.73132200  0.48152500  0.68077300  1
  Fe  Fe14  1  0.76877800  0.01863100  0.31914100  1
  Fe  Fe15  1  0.23123600  0.98144600  0.68092500  1
  As  As16  1  0.48614000  0.23589500  0.41457600  1
  As  As17  1  0.98613800  0.73596300  0.41452400  1
  As  As18  1  0.51384800  0.76412300  0.58541500  1
  As  As19  1  0.01389900  0.26407600  0.58547700  1
  C  C20  1  0.71235900  0.96159600  0.02796500  1
  C  C21  1  0.21246200  0.46148100  0.02791300  1
  C  C22  1  0.28759600  0.03841300  0.97206800  1
  C  C23  1  0.78748600  0.53847300  0.97206600  1
  O  O24  1  0.31920200  0.06893300  0.11392300  1
  O  O25  1  0.81907600  0.56895100  0.11393700  1
  O  O26  1  0.68077800  0.93106900  0.88610100  1
  O  O27  1  0.18089200  0.43097800  0.88604600  1
  O  O28  1  0.83271300  0.08332700  0.05824400  1
  O  O29  1  0.33273100  0.58328100  0.05821900  1
  O  O30  1  0.16728400  0.91664100  0.94178200  1
  O  O31  1  0.66722800  0.41666800  0.94174900  1
  O  O32  1  0.62153800  0.86849600  0.14399300  1
  O  O33  1  0.12167800  0.36831600  0.14391600  1
  O  O34  1  0.37836700  0.13155800  0.85603600  1
  O  O35  1  0.87824300  0.63168600  0.85607400  1
  O  O36  1  0.31621100  0.06641900  0.43785700  1
  O  O37  1  0.81613700  0.56656200  0.43777100  1
  O  O38  1  0.68378000  0.93360200  0.56215900  1
  O  O39  1  0.18389400  0.43347000  0.56217000  1
  O  O40  1  0.46056700  0.71230300  0.40515400  1
  O  O41  1  0.96061700  0.21240000  0.40517700  1
  O  O42  1  0.53946100  0.28767300  0.59483300  1
  O  O43  1  0.03941000  0.78761000  0.59482800  1
  O  O44  1  0.44735500  0.39323800  0.29426700  1
  O  O45  1  0.94747300  0.89335800  0.29423700  1
  O  O46  1  0.64140600  0.19614000  0.29403700  1
  O  O47  1  0.14128700  0.69600200  0.29400800  1
  O  O48  1  0.35859000  0.80390300  0.70595900  1
  O  O49  1  0.85872200  0.30403900  0.70596300  1
  O  O50  1  0.55266500  0.60680400  0.70571800  1
  O  O51  1  0.05250300  0.10666300  0.70579900  1
