# generated using pymatgen
data_FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.96565700
_cell_length_b   9.15885200
_cell_length_c   9.72034711
_cell_angle_alpha   71.36492101
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2O7
_chemical_formula_sum   'Fe8 P16 O56'
_cell_volume   1093.78005185
_cell_formula_units_Z   8
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
  Fe  Fe0  1  0.25458200  0.24750900  0.75524600  1.0
  Fe  Fe1  1  0.75458200  0.75249100  0.74475400  1.0
  Fe  Fe2  1  0.74541800  0.75249100  0.24475400  1.0
  Fe  Fe3  1  0.24541800  0.24750900  0.25524600  1.0
  Fe  Fe4  1  0.08435700  0.24986100  0.99907300  1.0
  Fe  Fe5  1  0.58435700  0.75013900  0.50092700  1.0
  Fe  Fe6  1  0.91564300  0.75013900  0.00092700  1.0
  Fe  Fe7  1  0.41564300  0.24986100  0.49907300  1.0
  P  P8  1  0.28750300  0.48940000  0.93225300  1.0
  P  P9  1  0.78750300  0.51060000  0.56774700  1.0
  P  P10  1  0.71249700  0.51060000  0.06774700  1.0
  P  P11  1  0.21249700  0.48940000  0.43225300  1.0
  P  P12  1  0.03534600  0.45113800  0.23137500  1.0
  P  P13  1  0.53534600  0.54886200  0.26862500  1.0
  P  P14  1  0.96465400  0.54886200  0.76862500  1.0
  P  P15  1  0.46465400  0.45113800  0.73137500  1.0
  P  P16  1  0.27605000  0.00436300  0.07600800  1.0
  P  P17  1  0.77605000  0.99563700  0.42399200  1.0
  P  P18  1  0.72395000  0.99563700  0.92399200  1.0
  P  P19  1  0.22395000  0.00436300  0.57600800  1.0
  P  P20  1  0.45148800  0.03604800  0.27424100  1.0
  P  P21  1  0.95148800  0.96395200  0.22575900  1.0
  P  P22  1  0.54851200  0.96395200  0.72575900  1.0
  P  P23  1  0.04851200  0.03604800  0.77424100  1.0
  O  O24  1  0.21546400  0.37902300  0.87993600  1.0
  O  O25  1  0.71546400  0.62097700  0.62006400  1.0
  O  O26  1  0.78453600  0.62097700  0.12006400  1.0
  O  O27  1  0.28453600  0.37902300  0.37993600  1.0
  O  O28  1  0.31403700  0.40738000  0.09141300  1.0
  O  O29  1  0.81403700  0.59262000  0.40858700  1.0
  O  O30  1  0.68596300  0.59262000  0.90858700  1.0
  O  O31  1  0.18596300  0.40738000  0.59141300  1.0
  O  O32  1  0.24376400  0.64886800  0.90372200  1.0
  O  O33  1  0.74376400  0.35113200  0.59627800  1.0
  O  O34  1  0.75623600  0.35113200  0.09627800  1.0
  O  O35  1  0.25623600  0.64886800  0.40372200  1.0
  O  O36  1  0.39261200  0.50242200  0.84259000  1.0
  O  O37  1  0.89261200  0.49757800  0.65741000  1.0
  O  O38  1  0.60738800  0.49757800  0.15741000  1.0
  O  O39  1  0.10738800  0.50242200  0.34259000  1.0
  O  O40  1  0.98718700  0.40191400  0.89464400  1.0
  O  O41  1  0.48718700  0.59808600  0.60535600  1.0
  O  O42  1  0.01281300  0.59808600  0.10535600  1.0
  O  O43  1  0.51281300  0.40191400  0.39464400  1.0
  O  O44  1  0.94125300  0.37299900  0.31017400  1.0
  O  O45  1  0.44125300  0.62700100  0.18982600  1.0
  O  O46  1  0.05874700  0.62700100  0.68982600  1.0
  O  O47  1  0.55874700  0.37299900  0.81017400  1.0
  O  O48  1  0.10644800  0.34399400  0.17261400  1.0
  O  O49  1  0.60644800  0.65600600  0.32738600  1.0
  O  O50  1  0.89355200  0.65600600  0.82738600  1.0
  O  O51  1  0.39355200  0.34399400  0.67261400  1.0
  O  O52  1  0.20705000  0.12142100  0.12468700  1.0
  O  O53  1  0.70705000  0.87857900  0.37531300  1.0
  O  O54  1  0.79295000  0.87857900  0.87531300  1.0
  O  O55  1  0.29295000  0.12142100  0.62468700  1.0
  O  O56  1  0.18099700  0.09079200  0.42483700  1.0
  O  O57  1  0.68099700  0.90920800  0.07516300  1.0
  O  O58  1  0.81900300  0.90920800  0.57516300  1.0
  O  O59  1  0.31900300  0.09079200  0.92483700  1.0
  O  O60  1  0.21830900  0.85893400  0.08422100  1.0
  O  O61  1  0.71830900  0.14106600  0.41577900  1.0
  O  O62  1  0.78169100  0.14106600  0.91577900  1.0
  O  O63  1  0.28169100  0.85893400  0.58422100  1.0
  O  O64  1  0.36898500  0.96492700  0.18912300  1.0
  O  O65  1  0.86898500  0.03507300  0.31087700  1.0
  O  O66  1  0.63101500  0.03507300  0.81087700  1.0
  O  O67  1  0.13101500  0.96492700  0.68912300  1.0
  O  O68  1  0.48325500  0.89848400  0.40447100  1.0
  O  O69  1  0.98325500  0.10151600  0.09552900  1.0
  O  O70  1  0.51674500  0.10151600  0.59552900  1.0
  O  O71  1  0.01674500  0.89848400  0.90447100  1.0
  O  O72  1  0.53891200  0.11217700  0.17668200  1.0
  O  O73  1  0.03891200  0.88782300  0.32331800  1.0
  O  O74  1  0.46108800  0.88782300  0.82331800  1.0
  O  O75  1  0.96108800  0.11217700  0.67668200  1.0
  O  O76  1  0.11362300  0.15144100  0.83116800  1.0
  O  O77  1  0.61362300  0.84855900  0.66883200  1.0
  O  O78  1  0.88637700  0.84855900  0.16883200  1.0
  O  O79  1  0.38637700  0.15144100  0.33116800  1.0