# generated using pymatgen
data_Li2FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13222481
_cell_length_b   7.14447485
_cell_length_c   16.31680826
_cell_angle_alpha   88.93912622
_cell_angle_beta   81.15587014
_cell_angle_gamma   67.82185659
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeP2O7
_chemical_formula_sum   'Li8 Fe4 P8 O28'
_cell_volume   546.92646855
_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  0.76222400  0.33012500  0.00738700  1
  Li  Li1  1  0.75956500  0.83042100  0.50785200  1
  Li  Li2  1  0.23728300  0.16989300  0.49306800  1
  Li  Li3  1  0.24319600  0.67047200  0.99159700  1
  Li  Li4  1  0.65886300  0.26999900  0.37905500  1
  Li  Li5  1  0.65480900  0.77592500  0.87994100  1
  Li  Li6  1  0.34063000  0.23106500  0.12135100  1
  Li  Li7  1  0.34475900  0.73016100  0.61949100  1
  Fe  Fe8  1  0.99922200  0.48369800  0.66941100  1
  Fe  Fe9  1  0.00690900  0.01636900  0.83052800  1
  Fe  Fe10  1  0.99701000  0.98294900  0.16855700  1
  Fe  Fe11  1  0.00409100  0.51721600  0.33144700  1
  P  P12  1  0.58523100  0.45616500  0.19635400  1
  P  P13  1  0.58155200  0.95456700  0.69699000  1
  P  P14  1  0.41503800  0.04403400  0.30370800  1
  P  P15  1  0.41602600  0.54221900  0.80247300  1
  P  P16  1  0.64289300  0.77301700  0.07129900  1
  P  P17  1  0.63799200  0.27150900  0.57187900  1
  P  P18  1  0.35916100  0.72716800  0.42867600  1
  P  P19  1  0.36015800  0.23016900  0.92880600  1
  O  O20  1  0.26355200  0.50662400  0.21841300  1
  O  O21  1  0.25917800  0.00525700  0.71849300  1
  O  O22  1  0.73664700  0.99352400  0.28151300  1
  O  O23  1  0.73987900  0.47846000  0.77938600  1
  O  O24  1  0.74207500  0.41527800  0.27011700  1
  O  O25  1  0.73567600  0.91198300  0.77116100  1
  O  O26  1  0.25742300  0.08527800  0.23006400  1
  O  O27  1  0.25793300  0.58931600  0.72892300  1
  O  O28  1  0.71932500  0.27960800  0.12921700  1
  O  O29  1  0.71680700  0.77820100  0.62953900  1
  O  O30  1  0.28118100  0.22039700  0.37093700  1
  O  O31  1  0.29210200  0.72045800  0.86907700  1
  O  O32  1  0.09831800  0.67265100  0.42538300  1
  O  O33  1  0.10565500  0.16823800  0.92793100  1
  O  O34  1  0.90443400  0.82677700  0.07469000  1
  O  O35  1  0.89827800  0.32486100  0.57527000  1
  O  O36  1  0.66857400  0.13012600  0.49823300  1
  O  O37  1  0.67589700  0.63222700  0.99716300  1
  O  O38  1  0.33013200  0.37207500  0.00221700  1
  O  O39  1  0.32575200  0.86888500  0.50250700  1
  O  O40  1  0.62265100  0.65271300  0.15606800  1
  O  O41  1  0.61628500  0.15205600  0.65718100  1
  O  O42  1  0.37787100  0.84726300  0.34376800  1
  O  O43  1  0.36044000  0.35277300  0.84380200  1
  O  O44  1  0.64156300  0.54458700  0.42168100  1
  O  O45  1  0.64890400  0.05202400  0.91995200  1
  O  O46  1  0.36139700  0.95627800  0.07835600  1
  O  O47  1  0.35545700  0.45493700  0.57908800  1
