# generated using pymatgen
data_Li3Fe(PO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77157387
_cell_length_b   9.77157387
_cell_length_c   10.02937646
_cell_angle_alpha   43.50130455
_cell_angle_beta   43.50130455
_cell_angle_gamma   49.93565376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(PO3)8
_chemical_formula_sum   'Li3 Fe1 P8 O24'
_cell_volume   439.61019093
_cell_formula_units_Z   1
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  0.47423400  0.98293800  0.77521800  1
  Li  Li1  1  0.01706200  0.52576600  0.22478200  1
  Li  Li2  1  0.05395700  0.94604300  0.00000000  1
  Fe  Fe3  1  0.95166500  0.04833500  0.50000000  1
  P  P4  1  0.75739600  0.26879200  0.20945000  1
  P  P5  1  0.29376800  0.32000800  0.45578600  1
  P  P6  1  0.26273400  0.73740300  0.28173700  1
  P  P7  1  0.67999200  0.70623200  0.54421400  1
  P  P8  1  0.71269400  0.69470100  0.04738300  1
  P  P9  1  0.73120800  0.24260400  0.79055000  1
  P  P10  1  0.30529900  0.28730600  0.95261700  1
  P  P11  1  0.26259700  0.73726600  0.71826300  1
  O  O12  1  0.84876400  0.08234200  0.90977100  1
  O  O13  1  0.28645100  0.80086700  0.08059100  1
  O  O14  1  0.82199100  0.65175300  0.12896000  1
  O  O15  1  0.86778900  0.73301300  0.32247700  1
  O  O16  1  0.47038200  0.71657800  0.23436300  1
  O  O17  1  0.22766700  0.50954600  0.47358600  1
  O  O18  1  0.08743100  0.86447400  0.40082900  1
  O  O19  1  0.49045400  0.77233300  0.52641400  1
  O  O20  1  0.63080300  0.80814000  0.63917700  1
  O  O21  1  0.81254100  0.25754700  0.57908500  1
  O  O22  1  0.13552600  0.91256900  0.59917100  1
  O  O23  1  0.26698700  0.13221100  0.67752300  1
  O  O24  1  0.69848500  0.46403400  0.72380000  1
  O  O25  1  0.28342200  0.52961800  0.76563700  1
  O  O26  1  0.19186000  0.36919700  0.36082300  1
  O  O27  1  0.73463600  0.87589800  0.81911300  1
  O  O28  1  0.19913300  0.71354900  0.91940900  1
  O  O29  1  0.34824600  0.17800900  0.87104000  1
  O  O30  1  0.49831000  0.22366400  0.96128700  1
  O  O31  1  0.91765800  0.15123600  0.09022900  1
  O  O32  1  0.77633600  0.50169000  0.03871300  1
  O  O33  1  0.53596600  0.30151500  0.27620000  1
  O  O34  1  0.12410200  0.26536400  0.18088700  1
  O  O35  1  0.74245300  0.18745900  0.42091500  1
