# generated using pymatgen
data_LiFe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68958860
_cell_length_b   8.68958860
_cell_length_c   8.80097257
_cell_angle_alpha   60.73758094
_cell_angle_beta   60.73758094
_cell_angle_gamma   59.85096089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(PO4)3
_chemical_formula_sum   'Li2 Fe4 P6 O24'
_cell_volume   474.53124345
_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  0.36127000  0.03385300  0.44987100  1
  Li  Li1  1  0.03385300  0.36127000  0.94987100  1
  Fe  Fe2  1  0.35327800  0.85345200  0.92605600  1
  Fe  Fe3  1  0.14666000  0.65258400  0.56444000  1
  Fe  Fe4  1  0.65258400  0.14666000  0.06444000  1
  Fe  Fe5  1  0.85345200  0.35327800  0.42605600  1
  P  P6  1  0.52726100  0.75367700  0.25734300  1
  P  P7  1  0.04215900  0.96112200  0.74230900  1
  P  P8  1  0.96112200  0.04215900  0.24230900  1
  P  P9  1  0.24721000  0.47203300  0.24482600  1
  P  P10  1  0.47203300  0.24721000  0.74482600  1
  P  P11  1  0.75367700  0.52726100  0.75734300  1
  O  O12  1  0.76326600  0.48503500  0.60227400  1
  O  O13  1  0.24166900  0.51104300  0.40044100  1
  O  O14  1  0.77554600  0.05314700  0.24653900  1
  O  O15  1  0.48503500  0.76326600  0.10227400  1
  O  O16  1  0.36836400  0.72786400  0.44446000  1
  O  O17  1  0.12104200  0.01903100  0.05998800  1
  O  O18  1  0.54562600  0.93639800  0.22538300  1
  O  O19  1  0.27687800  0.40426000  0.74519000  1
  O  O20  1  0.58941100  0.71469700  0.76295100  1
  O  O21  1  0.45786600  0.06224500  0.77946600  1
  O  O22  1  0.05314700  0.77554600  0.74653900  1
  O  O23  1  0.23309000  0.94228000  0.73648300  1
  O  O24  1  0.87839400  0.99769600  0.91515800  1
  O  O25  1  0.27887000  0.62869100  0.05905100  1
  O  O26  1  0.71469700  0.58941100  0.26295100  1
  O  O27  1  0.94228000  0.23309000  0.23648300  1
  O  O28  1  0.51104300  0.24166900  0.90044100  1
  O  O29  1  0.62869100  0.27887000  0.55905100  1
  O  O30  1  0.72786400  0.36836400  0.94446000  1
  O  O31  1  0.01903100  0.12104200  0.55998800  1
  O  O32  1  0.93639800  0.54562600  0.72538300  1
  O  O33  1  0.99769600  0.87839400  0.41515800  1
  O  O34  1  0.06224500  0.45786600  0.27946600  1
  O  O35  1  0.40426000  0.27687800  0.24519000  1
