# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70573300
_cell_length_b   9.76482575
_cell_length_c   11.12086593
_cell_angle_alpha   101.80020024
_cell_angle_beta   89.98360088
_cell_angle_gamma   90.20043067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1031.69728274
_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  0.56794600  0.16166900  0.53216700  1
  Li  Li1  1  0.09837800  0.34311900  0.95781700  1
  Li  Li2  1  0.40693400  0.41931600  0.97824200  1
  Li  Li3  1  0.07920600  0.33565000  0.46251800  1
  Li  Li4  1  0.95333300  0.61986400  0.50368200  1
  Li  Li5  1  0.41966000  0.84686600  0.96409700  1
  Li  Li6  1  0.87726400  0.65387700  0.03643600  1
  Li  Li7  1  0.09569900  0.91996500  0.97608900  1
  Li  Li8  1  0.40277700  0.81853100  0.44792800  1
  Li  Li9  1  0.71546100  0.88101800  0.54331900  1
  Fe  Fe10  1  0.07802400  0.19577500  0.66824700  1
  Fe  Fe11  1  0.78471900  0.24583100  0.82716300  1
  Fe  Fe12  1  0.28379900  0.24510800  0.18088400  1
  Fe  Fe13  1  0.58019500  0.30068600  0.32137300  1
  Fe  Fe14  1  0.42443100  0.69613400  0.67324700  1
  Fe  Fe15  1  0.71625800  0.75107900  0.83030100  1
  Fe  Fe16  1  0.21963900  0.74495200  0.17541000  1
  Fe  Fe17  1  0.92495700  0.80300100  0.31920000  1
  P  P18  1  0.54870800  0.01954800  0.75275400  1
  P  P19  1  0.29090300  0.11574800  0.88740100  1
  P  P20  1  0.07962600  0.07322500  0.24556300  1
  P  P21  1  0.85257700  0.12517900  0.42057500  1
  P  P22  1  0.35567400  0.37465800  0.57861600  1
  P  P23  1  0.57875700  0.42966300  0.76163500  1
  P  P24  1  0.95265600  0.51623700  0.75285300  1
  P  P25  1  0.78651200  0.38769900  0.11273700  1
  P  P26  1  0.20824600  0.61606200  0.88598500  1
  P  P27  1  0.04455000  0.47956400  0.24885000  1
  P  P28  1  0.41857100  0.56740000  0.24243700  1
  P  P29  1  0.64624200  0.62201400  0.41753100  1
  P  P30  1  0.14504100  0.87361900  0.57742100  1
  P  P31  1  0.92138300  0.93123400  0.75978400  1
  P  P32  1  0.71256500  0.90191200  0.11417000  1
  P  P33  1  0.45127500  0.98167200  0.24781300  1
  O  O34  1  0.57734500  0.01752500  0.61901100  1
  O  O35  1  0.15719200  0.02811200  0.57007400  1
  O  O36  1  0.91563900  0.08627100  0.73671000  1
  O  O37  1  0.40946400  0.10867000  0.78518600  1
  O  O38  1  0.65682800  0.09711400  0.84192200  1
  O  O39  1  0.16846400  0.18026000  0.83008600  1
  O  O40  1  0.33627100  0.22493900  0.00443100  1
  O  O41  1  0.75303700  0.04122000  0.09531300  1
  O  O42  1  0.92916100  0.12831300  0.29283800  1
  O  O43  1  0.10310300  0.08445300  0.11294100  1
  O  O44  1  0.45723600  0.13915000  0.22802700  1
  O  O45  1  0.70957500  0.18698400  0.40878400  1
  O  O46  1  0.18187000  0.18163000  0.31958800  1
  O  O47  1  0.94387600  0.20962800  0.52168600  1
  O  O48  1  0.44228300  0.28924300  0.47585500  1
  O  O49  1  0.69035100  0.32622700  0.69658200  1
  O  O50  1  0.21052300  0.31560300  0.59314500  1
  O  O51  1  0.97183900  0.36205700  0.77784800  1
  O  O52  1  0.43214300  0.36573100  0.70541500  1
  O  O53  1  0.57863200  0.42018200  0.89478300  1
  O  O54  1  0.23241600  0.47450100  0.91577000  1
  O  O55  1  0.84894000  0.29416200  0.99343800  1
  O  O56  1  0.66763700  0.31834500  0.16919200  1
  O  O57  1  0.90590800  0.39175900  0.21615100  1
  O  O58  1  0.41182800  0.41249000  0.26487200  1
  O  O59  1  0.15199000  0.39667000  0.15919100  1
  O  O60  1  0.65601900  0.47034100  0.42943200  1
  O  O61  1  0.91676400  0.51730000  0.62293700  1
  O  O62  1  0.06727200  0.48545100  0.38332900  1
  O  O63  1  0.34615000  0.52945300  0.57229400  1
  O  O64  1  0.86015600  0.59609200  0.85473300  1
  O  O65  1  0.58553600  0.57893900  0.73199900  1
  O  O66  1  0.10167400  0.59318400  0.77307300  1
  O  O67  1  0.33473400  0.68264900  0.83447800  1
  O  O68  1  0.14549400  0.72256300  0.99521700  1
  O  O69  1  0.76270700  0.53286200  0.09685900  1
  O  O70  1  0.40495100  0.57613600  0.11003500  1
  O  O71  1  0.56995400  0.62432600  0.29005400  1
  O  O72  1  0.02790600  0.62866600  0.21857000  1
  O  O73  1  0.78903700  0.69016100  0.40854300  1
  O  O74  1  0.31625000  0.66859300  0.31954900  1
  O  O75  1  0.56158700  0.71746100  0.51946400  1
  O  O76  1  0.05673700  0.78868700  0.47436600  1
  O  O77  1  0.80839200  0.83928100  0.68678600  1
  O  O78  1  0.28806000  0.81199200  0.59302200  1
  O  O79  1  0.52435000  0.86964200  0.77778800  1
  O  O80  1  0.92256100  0.91670300  0.89104700  1
  O  O81  1  0.06826800  0.87079400  0.70504800  1
  O  O82  1  0.27052600  0.97180200  0.91133500  1
  O  O83  1  0.64331200  0.80130300  0.00391800  1
  O  O84  1  0.83051000  0.81845800  0.16716600  1
  O  O85  1  0.36042300  0.89977000  0.14479100  1
  O  O86  1  0.60268300  0.91749000  0.22780000  1
  O  O87  1  0.08600500  0.92154800  0.26812100  1
  O  O88  1  0.83865100  0.97044300  0.43083200  1
  O  O89  1  0.41579500  0.97574100  0.37766700  1
