# generated using pymatgen
data_Li6Fe3P8O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96860400
_cell_length_b   9.97142549
_cell_length_c   13.86515426
_cell_angle_alpha   90.08286681
_cell_angle_beta   90.11509451
_cell_angle_gamma   119.90714978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe3P8O29
_chemical_formula_sum   'Li12 Fe6 P16 O58'
_cell_volume   1194.67533355
_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  0.69160600  0.78171700  0.56325800  1
  Li  Li1  1  0.31336200  0.22343300  0.43710600  1
  Li  Li2  1  0.31159700  0.08909400  0.93688500  1
  Li  Li3  1  0.78102600  0.69216000  0.93537400  1
  Li  Li4  1  0.66485500  0.33007300  0.12426900  1
  Li  Li5  1  0.91282600  0.69268300  0.43638600  1
  Li  Li6  1  0.09260000  0.77923400  0.06326200  1
  Li  Li7  1  0.21695500  0.30718800  0.06398000  1
  Li  Li8  1  0.08865200  0.30882400  0.56284600  1
  Li  Li9  1  0.91526000  0.22854700  0.93857700  1
  Li  Li10  1  0.22236000  0.91078900  0.56383700  1
  Li  Li11  1  0.78180100  0.09156700  0.43262100  1
  Fe  Fe12  1  0.56918800  0.56681200  0.74978400  1
  Fe  Fe13  1  0.43549500  0.00428100  0.75062600  1
  Fe  Fe14  1  0.00049000  0.56822400  0.25372200  1
  Fe  Fe15  1  0.99336800  0.42868800  0.75192100  1
  Fe  Fe16  1  0.56749000  0.99508500  0.24750700  1
  Fe  Fe17  1  0.42843100  0.43221700  0.24979000  1
  P  P18  1  0.09288800  0.76683700  0.84094400  1
  P  P19  1  0.90971100  0.67590700  0.65854600  1
  P  P20  1  0.66677600  0.33381400  0.87772700  1
  P  P21  1  0.66604000  0.33692500  0.37589000  1
  P  P22  1  0.76760000  0.67194500  0.15823200  1
  P  P23  1  0.32634600  0.09252700  0.15831600  1
  P  P24  1  0.67457200  0.76513400  0.34000400  1
  P  P25  1  0.68357800  0.91193000  0.83627700  1
  P  P26  1  0.23545600  0.32659000  0.84148600  1
  P  P27  1  0.33496700  0.66815700  0.62859700  1
  P  P28  1  0.32681400  0.66107300  0.12707000  1
  P  P29  1  0.09066800  0.32490200  0.34196600  1
  P  P30  1  0.90385400  0.23237200  0.16018400  1
  P  P31  1  0.23691700  0.91147000  0.34190300  1
  P  P32  1  0.76512400  0.09075600  0.65374500  1
  P  P33  1  0.32488100  0.23407100  0.65893700  1
  O  O34  1  0.89402400  0.51697200  0.67371600  1
  O  O35  1  0.33215600  0.08342100  0.65900800  1
  O  O36  1  0.24692000  0.00153100  0.43242700  1
  O  O37  1  0.21999200  0.00213000  0.24987700  1
  O  O38  1  0.33191500  0.24975100  0.15715900  1
  O  O39  1  0.24684600  0.24775000  0.93225600  1
  O  O40  1  0.67114300  0.75225400  0.84047100  1
  O  O41  1  0.77884700  0.98602600  0.73800000  1
  O  O42  1  0.75149600  0.00449400  0.56068000  1
  O  O43  1  0.67058700  0.91774400  0.33955500  1
  O  O44  1  0.51467300  0.62494200  0.32211300  1
  O  O45  1  0.48926300  0.67743100  0.65596900  1
  O  O46  1  0.37763400  0.48561300  0.82437100  1
  O  O47  1  0.24528200  0.24505100  0.56826100  1
  O  O48  1  0.21659700  0.21661800  0.75035400  1
  O  O49  1  0.24777300  0.33039900  0.34087400  1
  O  O50  1  0.47521000  0.80465900  0.16387200  1
  O  O51  1  0.52543800  0.90164000  0.82858500  1
  O  O52  1  0.32183200  0.50848300  0.15383800  1
  O  O53  1  0.34417100  0.68797400  0.01614000  1
  O  O54  1  0.30400400  0.64159500  0.51789500  1
  O  O55  1  0.38016400  0.89604300  0.32584300  1
  O  O56  1  0.18966700  0.51395300  0.66061500  1
  O  O57  1  0.33044600  0.81512700  0.65843400  1
  O  O58  1  0.08493300  0.33448700  0.84181200  1
  O  O59  1  0.99716400  0.21676900  0.25067200  1
  O  O60  1  0.99766600  0.25201300  0.07029000  1
  O  O61  1  0.00106200  0.24668800  0.43245100  1
  O  O62  1  0.10799100  0.48430700  0.32517600  1
  O  O63  1  0.17699000  0.66144500  0.15551500  1
  O  O64  1  0.91750600  0.24706600  0.65832700  1
  O  O65  1  0.10786400  0.62311900  0.82472300  1
  O  O66  1  0.25077600  0.91697900  0.84096600  1
  O  O67  1  0.77566000  0.01248300  0.92050200  1
  O  O68  1  0.25018300  0.99898600  0.06858200  1
  O  O69  1  0.08564900  0.75395700  0.34161100  1
  O  O70  1  0.74626500  0.08447600  0.16000700  1
  O  O71  1  0.87728400  0.37120400  0.17833200  1
  O  O72  1  0.81128100  0.32513900  0.84353400  1
  O  O73  1  0.51497000  0.33094800  0.34296500  1
  O  O74  1  0.99995000  0.75598200  0.56818200  1
  O  O75  1  0.00312700  0.75563800  0.93188100  1
  O  O76  1  0.00043500  0.78479700  0.75017900  1
  O  O77  1  0.91976100  0.66645900  0.16028100  1
  O  O78  1  0.67502100  0.19076400  0.34552600  1
  O  O79  1  0.62488300  0.10926300  0.67435300  1
  O  O80  1  0.81163900  0.48970300  0.34686600  1
  O  O81  1  0.65976100  0.31297800  0.48721800  1
  O  O82  1  0.66736800  0.33519800  0.98825900  1
  O  O83  1  0.67522000  0.48654400  0.84335800  1
  O  O84  1  0.49173500  0.12046600  0.17610400  1
  O  O85  1  0.48425900  0.37687200  0.67426000  1
  O  O86  1  0.75143300  0.66817000  0.65803500  1
  O  O87  1  0.78214600  0.77923900  0.24874900  1
  O  O88  1  0.75704800  0.74404700  0.06533400  1
  O  O89  1  0.75250600  0.75293100  0.43102200  1
  O  O90  1  0.62791400  0.50785000  0.17422600  1
  O  O91  1  0.51388800  0.18877800  0.84425900  1
