# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75922600
_cell_length_b   9.79642540
_cell_length_c   11.15872680
_cell_angle_alpha   89.78216274
_cell_angle_beta   78.36451992
_cell_angle_gamma   89.46604640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1044.86569958
_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  0.88418700  0.29515200  0.45473200  1
  Li  Li1  1  0.59118500  0.38809100  0.97519000  1
  Li  Li2  1  0.63695300  0.06667000  0.48448500  1
  Li  Li3  1  0.61526100  0.77733200  0.55190000  1
  Li  Li4  1  0.41008500  0.60565200  0.03426600  1
  Li  Li5  1  0.14489800  0.40955900  0.95286300  1
  Li  Li6  1  0.35261600  0.90508400  0.04592100  1
  Li  Li7  1  0.07746200  0.09763800  0.97605400  1
  Li  Li8  1  0.18189400  0.41339000  0.45056100  1
  Li  Li9  1  0.11291300  0.71524700  0.54490000  1
  Fe  Fe10  1  0.79757600  0.08186800  0.68058600  1
  Fe  Fe11  1  0.75701300  0.79621500  0.82586900  1
  Fe  Fe12  1  0.75696500  0.27725300  0.17447700  1
  Fe  Fe13  1  0.70739500  0.57307200  0.32537500  1
  Fe  Fe14  1  0.29598600  0.42175200  0.67622000  1
  Fe  Fe15  1  0.24426000  0.71753900  0.82945800  1
  Fe  Fe16  1  0.25538500  0.21358700  0.17431300  1
  Fe  Fe17  1  0.20574300  0.92767200  0.32871300  1
  P  P18  1  0.97884800  0.54865500  0.74743700  1
  P  P19  1  0.88324900  0.29209500  0.88490500  1
  P  P20  1  0.93152800  0.08074500  0.24405700  1
  P  P21  1  0.87552300  0.85230100  0.41683800  1
  P  P22  1  0.62207000  0.35771900  0.57765900  1
  P  P23  1  0.56034100  0.57492700  0.76496700  1
  P  P24  1  0.48036200  0.94998600  0.75466100  1
  P  P25  1  0.61980700  0.78829700  0.11572300  1
  P  P26  1  0.38343800  0.20580800  0.88400600  1
  P  P27  1  0.52414000  0.05045900  0.24717700  1
  P  P28  1  0.44133200  0.42284300  0.24079500  1
  P  P29  1  0.37873900  0.64754500  0.42289600  1
  P  P30  1  0.12288000  0.14639000  0.57165400  1
  P  P31  1  0.06840000  0.92421100  0.75788400  1
  P  P32  1  0.11097200  0.71395900  0.11678600  1
  P  P33  1  0.02760600  0.44947300  0.23850300  1
  O  O34  1  0.98976500  0.56913300  0.61305400  1
  O  O35  1  0.96501100  0.16103600  0.56711500  1
  O  O36  1  0.91291900  0.91987000  0.73481100  1
  O  O37  1  0.89000000  0.41163700  0.78515100  1
  O  O38  1  0.89736500  0.65796900  0.83209700  1
  O  O39  1  0.82044400  0.17402200  0.82545300  1
  O  O40  1  0.77965100  0.34049200  0.00283800  1
  O  O41  1  0.97275400  0.74453400  0.08854800  1
  O  O42  1  0.87767300  0.93228000  0.28942800  1
  O  O43  1  0.91242300  0.10839600  0.11407200  1
  O  O44  1  0.86947400  0.45624600  0.22397900  1
  O  O45  1  0.80761100  0.71497900  0.40301100  1
  O  O46  1  0.83006300  0.18595600  0.32082300  1
  O  O47  1  0.78184900  0.93563900  0.51916300  1
  O  O48  1  0.71395300  0.42888600  0.46886900  1
  O  O49  1  0.65406400  0.69622400  0.71093300  1
  O  O50  1  0.68531400  0.21430900  0.59401900  1
  O  O51  1  0.63702700  0.96688500  0.77560500  1
  O  O52  1  0.63370200  0.43980000  0.69914200  1
  O  O53  1  0.56082400  0.56000800  0.89860100  1
  O  O54  1  0.52318100  0.23850000  0.90918500  1
  O  O55  1  0.71759400  0.83155100  0.99503900  1
  O  O56  1  0.67831500  0.67011400  0.18091600  1
  O  O57  1  0.61378500  0.91288300  0.20984200  1
  O  O58  1  0.59347900  0.41005000  0.26645100  1
  O  O59  1  0.60159400  0.16040600  0.15977400  1
  O  O60  1  0.53072000  0.65632800  0.43951300  1
  O  O61  1  0.48187700  0.91196300  0.62455800  1
  O  O62  1  0.52081600  0.07354300  0.37905600  1
  O  O63  1  0.46717400  0.34953300  0.57339300  1
  O  O64  1  0.39976200  0.86022100  0.85772600  1
  O  O65  1  0.41233400  0.58295600  0.73254100  1
  O  O66  1  0.40505600  0.09757300  0.77294100  1
  O  O67  1  0.30828200  0.32688800  0.83116900  1
  O  O68  1  0.27966200  0.14156100  0.99443800  1
  O  O69  1  0.47350800  0.76645800  0.09527700  1
  O  O70  1  0.43887200  0.43108500  0.10646100  1
  O  O71  1  0.38390900  0.56942500  0.29583100  1
  O  O72  1  0.37471100  0.02802700  0.21649400  1
  O  O73  1  0.30839800  0.78436200  0.40713500  1
  O  O74  1  0.33611300  0.31863800  0.30668300  1
  O  O75  1  0.28343700  0.56175600  0.52249200  1
  O  O76  1  0.20336400  0.06617900  0.46367000  1
  O  O77  1  0.15444600  0.80545000  0.69091700  1
  O  O78  1  0.18301100  0.28819100  0.59024900  1
  O  O79  1  0.12627500  0.52454600  0.78368300  1
  O  O80  1  0.08191300  0.93149700  0.88899500  1
  O  O81  1  0.12820000  0.06539100  0.69548300  1
  O  O82  1  0.02747100  0.26645600  0.90772200  1
  O  O83  1  0.22131800  0.64941200  0.00841700  1
  O  O84  1  0.18703500  0.83029100  0.17371700  1
  O  O85  1  0.11163700  0.36415800  0.13338700  1
  O  O86  1  0.09334700  0.59871500  0.22749300  1
  O  O87  1  0.08472400  0.08451200  0.26157800  1
  O  O88  1  0.02840600  0.84029300  0.43127900  1
  O  O89  1  0.03559900  0.40012600  0.36531400  1
