# generated using pymatgen
data_Li4Fe(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36591663
_cell_length_b   7.36591663
_cell_length_c   13.95937303
_cell_angle_alpha   86.92791268
_cell_angle_beta   86.92791268
_cell_angle_gamma   63.81585655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe(PO3)6
_chemical_formula_sum   'Li8 Fe2 P12 O36'
_cell_volume   678.31115284
_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  0.96047400  0.70124800  0.92274000  1
  Li  Li1  1  0.70124800  0.96047400  0.42274000  1
  Li  Li2  1  0.78421000  0.55608400  0.54696600  1
  Li  Li3  1  0.55608400  0.78421000  0.04696600  1
  Li  Li4  1  0.44391600  0.21579000  0.95303400  1
  Li  Li5  1  0.21579000  0.44391600  0.45303400  1
  Li  Li6  1  0.29875200  0.03952600  0.57726000  1
  Li  Li7  1  0.03952600  0.29875200  0.07726000  1
  Fe  Fe8  1  0.37368600  0.62631400  0.75000000  1
  Fe  Fe9  1  0.62631400  0.37368600  0.25000000  1
  P  P10  1  0.96456600  0.85166400  0.61420800  1
  P  P11  1  0.85166400  0.96456600  0.11420800  1
  P  P12  1  0.63020800  0.90662200  0.75077300  1
  P  P13  1  0.90662200  0.63020800  0.25077300  1
  P  P14  1  0.76972500  0.40017200  0.88919900  1
  P  P15  1  0.40017200  0.76972500  0.38919900  1
  P  P16  1  0.59982800  0.23027500  0.61080100  1
  P  P17  1  0.23027500  0.59982800  0.11080100  1
  P  P18  1  0.09337800  0.36979200  0.74922700  1
  P  P19  1  0.36979200  0.09337800  0.24922700  1
  P  P20  1  0.14833600  0.03543400  0.88579200  1
  P  P21  1  0.03543400  0.14833600  0.38579200  1
  O  O22  1  0.86573700  0.81425200  0.71442100  1
  O  O23  1  0.91617200  0.75266600  0.53430800  1
  O  O24  1  0.81425200  0.86573700  0.21442100  1
  O  O25  1  0.75266600  0.91617200  0.03430800  1
  O  O26  1  0.63012900  0.90148300  0.85748400  1
  O  O27  1  0.90148300  0.63012900  0.35748500  1
  O  O28  1  0.81141300  0.50394200  0.96947500  1
  O  O29  1  0.52334700  0.81130100  0.69727500  1
  O  O30  1  0.85997200  0.44955700  0.78833100  1
  O  O31  1  0.50394200  0.81141300  0.46947500  1
  O  O32  1  0.81130100  0.52334700  0.19727500  1
  O  O33  1  0.44955700  0.85997200  0.28833100  1
  O  O34  1  0.90394400  0.15690700  0.90064900  1
  O  O35  1  0.19169900  0.82131200  0.86659300  1
  O  O36  1  0.55789400  0.43336800  0.87075600  1
  O  O37  1  0.15690700  0.90394400  0.40064900  1
  O  O38  1  0.56663200  0.44210600  0.62924400  1
  O  O39  1  0.82131200  0.19169900  0.36659300  1
  O  O40  1  0.17868800  0.80830100  0.63340700  1
  O  O41  1  0.43336800  0.55789400  0.37075600  1
  O  O42  1  0.84309300  0.09605600  0.59935100  1
  O  O43  1  0.44210600  0.56663200  0.12924400  1
  O  O44  1  0.80830100  0.17868800  0.13340700  1
  O  O45  1  0.09605600  0.84309300  0.09935100  1
  O  O46  1  0.55044300  0.14002800  0.71166900  1
  O  O47  1  0.18869900  0.47665300  0.80272500  1
  O  O48  1  0.49605800  0.18858700  0.53052500  1
  O  O49  1  0.14002800  0.55044300  0.21166900  1
  O  O50  1  0.47665300  0.18869900  0.30272500  1
  O  O51  1  0.18858700  0.49605800  0.03052500  1
  O  O52  1  0.09851700  0.36987100  0.64251600  1
  O  O53  1  0.36987100  0.09851700  0.14251600  1
  O  O54  1  0.24733400  0.08382800  0.96569200  1
  O  O55  1  0.18574800  0.13426300  0.78557900  1
  O  O56  1  0.08382800  0.24733400  0.46569200  1
  O  O57  1  0.13426300  0.18574800  0.28557900  1
