# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06389900
_cell_length_b   8.45482600
_cell_length_c   12.24460996
_cell_angle_alpha   78.67921872
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   514.04547519
_cell_formula_units_Z   4
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  0.72628800  0.12195600  0.29544300  1
  Li  Li1  1  0.27371200  0.87804400  0.70455700  1
  Li  Li2  1  0.77371200  0.62195600  0.79544300  1
  Li  Li3  1  0.22628800  0.37804400  0.20455700  1
  Fe  Fe4  1  0.23774200  0.76382200  0.97274600  1
  Fe  Fe5  1  0.73774200  0.73617800  0.52725400  1
  Fe  Fe6  1  0.26225800  0.26382200  0.47274600  1
  Fe  Fe7  1  0.76225800  0.23617800  0.02725400  1
  P  P8  1  0.73311000  0.58084500  0.11581900  1
  P  P9  1  0.26689000  0.41915500  0.88418100  1
  P  P10  1  0.25542300  0.52864200  0.64603300  1
  P  P11  1  0.23311000  0.91915500  0.38418100  1
  P  P12  1  0.24457700  0.02864200  0.14603300  1
  P  P13  1  0.76689000  0.08084500  0.61581900  1
  P  P14  1  0.75542300  0.97135800  0.85396700  1
  P  P15  1  0.74457700  0.47135800  0.35396700  1
  O  O16  1  0.79057400  0.60626300  0.24172600  1
  O  O17  1  0.65726100  0.91062800  0.61696200  1
  O  O18  1  0.54794700  0.83542500  0.85676700  1
  O  O19  1  0.03452600  0.90572900  0.84071600  1
  O  O20  1  0.96547400  0.09427100  0.15928400  1
  O  O21  1  0.45205300  0.16457500  0.14323300  1
  O  O22  1  0.34273900  0.08937200  0.38303800  1
  O  O23  1  0.06589100  0.09282800  0.59247600  1
  O  O24  1  0.70942600  0.10626300  0.74172600  1
  O  O25  1  0.61158200  0.21490500  0.54370300  1
  O  O26  1  0.71941100  0.06364200  0.94703300  1
  O  O27  1  0.84273900  0.41062800  0.11696200  1
  O  O28  1  0.95205300  0.33542500  0.35676700  1
  O  O29  1  0.46547400  0.40572900  0.34071600  1
  O  O30  1  0.21941100  0.43635800  0.55296700  1
  O  O31  1  0.29057400  0.89373700  0.25827400  1
  O  O32  1  0.11158200  0.28509500  0.95629700  1
  O  O33  1  0.20942600  0.39373700  0.75827400  1
  O  O34  1  0.43410900  0.59282800  0.09247600  1
  O  O35  1  0.88841800  0.71490500  0.04370300  1
  O  O36  1  0.56589100  0.40717200  0.90752400  1
  O  O37  1  0.78058900  0.56364200  0.44703300  1
  O  O38  1  0.53452600  0.59427100  0.65928400  1
  O  O39  1  0.04794700  0.66457500  0.64323300  1
  O  O40  1  0.15726100  0.58937200  0.88303800  1
  O  O41  1  0.28058900  0.93635800  0.05296700  1
  O  O42  1  0.38841800  0.78509500  0.45629700  1
  O  O43  1  0.93410900  0.90717200  0.40752400  1
