# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50994537
_cell_length_b   10.50994537
_cell_length_c   10.50994537
_cell_angle_alpha   142.05756575
_cell_angle_beta   142.05756575
_cell_angle_gamma   54.74209632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li2 Fe8 P6 O24'
_cell_volume   435.82615594
_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  0.25000000  0.75000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe2  1  0.37500000  0.36493900  0.48993900  1
  Fe  Fe3  1  0.77504800  0.77504800  0.00000000  1
  Fe  Fe4  1  0.63506100  0.12500000  0.01006100  1
  Fe  Fe5  1  0.87500000  0.88506100  0.51006100  1
  Fe  Fe6  1  0.22495200  0.22495200  0.00000000  1
  Fe  Fe7  1  0.52504800  0.02504800  0.50000000  1
  Fe  Fe8  1  0.97495200  0.47495200  0.50000000  1
  Fe  Fe9  1  0.11493900  0.62500000  0.98993900  1
  P  P10  1  0.00000000  0.00000000  0.00000000  1
  P  P11  1  0.87500000  0.47914900  0.10414900  1
  P  P12  1  0.37500000  0.77085100  0.89585100  1
  P  P13  1  0.22914900  0.12500000  0.60414900  1
  P  P14  1  0.75000000  0.25000000  0.50000000  1
  P  P15  1  0.52085100  0.62500000  0.39585100  1
  O  O16  1  0.23163500  0.09551900  0.24133100  1
  O  O17  1  0.66919300  0.34020300  0.80158000  1
  O  O18  1  0.08080700  0.38238700  0.17101000  1
  O  O19  1  0.61761300  0.78862300  0.69842000  1
  O  O20  1  0.27521100  0.56166800  0.71763300  1
  O  O21  1  0.47478900  0.69242200  0.78645700  1
  O  O22  1  0.90596500  0.68833200  0.21354300  1
  O  O23  1  0.84403500  0.55757800  0.28236700  1
  O  O24  1  0.09020300  0.91919300  0.30158000  1
  O  O25  1  0.90448100  0.14581300  0.13611600  1
  O  O26  1  0.43833200  0.15596500  0.71354300  1
  O  O27  1  0.21137700  0.90979700  0.82899000  1
  O  O28  1  0.53862300  0.86761300  0.19842000  1
  O  O29  1  0.30757800  0.09403500  0.78236700  1
  O  O30  1  0.74030400  0.10418700  0.25866900  1
  O  O31  1  0.89581300  0.15448100  0.63611600  1
  O  O32  1  0.85418700  0.99030400  0.75866900  1
  O  O33  1  0.13238700  0.33080700  0.67101000  1
  O  O34  1  0.65979700  0.46137700  0.32899000  1
  O  O35  1  0.51836500  0.25969600  0.36388400  1
  O  O36  1  0.84551900  0.48163500  0.74133100  1
  O  O37  1  0.31166800  0.52521100  0.21763300  1
  O  O38  1  0.44242200  0.72478900  0.28645700  1
  O  O39  1  0.00969600  0.76836500  0.86388400  1
