# generated using pymatgen
data_Li2Fe3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29361400
_cell_length_b   6.60912760
_cell_length_c   16.03158097
_cell_angle_alpha   81.54987872
_cell_angle_beta   82.37726256
_cell_angle_gamma   72.01886541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3(P2O7)2
_chemical_formula_sum   'Li4 Fe6 P8 O28'
_cell_volume   525.42166344
_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  0.06810000  0.23345900  0.99100200  1
  Li  Li1  1  0.36255100  0.69638700  0.12044300  1
  Li  Li2  1  0.63744900  0.30361300  0.87955700  1
  Li  Li3  1  0.93190000  0.76654100  0.00899800  1
  Fe  Fe4  1  0.16237400  0.28819000  0.57608600  1
  Fe  Fe5  1  0.03499500  0.62396500  0.81214600  1
  Fe  Fe6  1  0.25314300  0.97073300  0.33316500  1
  Fe  Fe7  1  0.74685700  0.02926700  0.66683500  1
  Fe  Fe8  1  0.96500500  0.37603500  0.18785400  1
  Fe  Fe9  1  0.83762600  0.71181000  0.42391400  1
  P  P10  1  0.16566200  0.09343000  0.78843000  1
  P  P11  1  0.36851800  0.44254600  0.31839300  1
  P  P12  1  0.56345900  0.24804400  0.07455200  1
  P  P13  1  0.28103800  0.78198400  0.53841100  1
  P  P14  1  0.71896200  0.21801600  0.46158900  1
  P  P15  1  0.43654100  0.75195600  0.92544800  1
  P  P16  1  0.63148200  0.55745400  0.68160700  1
  P  P17  1  0.83433800  0.90657000  0.21157000  1
  O  O18  1  0.02941000  0.03252500  0.22111500  1
  O  O19  1  0.25617200  0.32870800  0.07684600  1
  O  O20  1  0.21605100  0.30330400  0.29043300  1
  O  O21  1  0.02292700  0.28428000  0.83965600  1
  O  O22  1  0.18075000  0.65984900  0.34057400  1
  O  O23  1  0.13660300  0.61582900  0.53434200  1
  O  O24  1  0.32953400  0.14229400  0.70638900  1
  O  O25  1  0.60619200  0.06082200  0.15354200  1
  O  O26  1  0.10691800  0.97531000  0.58128300  1
  O  O27  1  0.70784600  0.14285600  0.99516200  1
  O  O28  1  0.46362200  0.32055300  0.40843700  1
  O  O29  1  0.31484300  0.57916700  0.90950200  1
  O  O30  1  0.57440900  0.15877000  0.54820700  1
  O  O31  1  0.60245400  0.46899600  0.25748900  1
  O  O32  1  0.39754600  0.53100400  0.74251100  1
  O  O33  1  0.42559100  0.84123000  0.45179300  1
  O  O34  1  0.68515700  0.42083300  0.09049800  1
  O  O35  1  0.53637800  0.67944700  0.59156300  1
  O  O36  1  0.29215400  0.85714400  0.00483800  1
  O  O37  1  0.89308200  0.02469000  0.41871700  1
  O  O38  1  0.39380800  0.93917800  0.84645800  1
  O  O39  1  0.67046600  0.85770600  0.29361100  1
  O  O40  1  0.86339700  0.38417100  0.46565800  1
  O  O41  1  0.81925000  0.34015100  0.65942600  1
  O  O42  1  0.97707300  0.71572000  0.16034400  1
  O  O43  1  0.78394900  0.69669600  0.70956700  1
  O  O44  1  0.74382800  0.67129200  0.92315400  1
  O  O45  1  0.97059000  0.96747500  0.77888500  1
