# generated using pymatgen
data_Li4Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79780100
_cell_length_b   8.96366200
_cell_length_c   12.22773500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe2(PO4)3
_chemical_formula_sum   'Li16 Fe8 P12 O48'
_cell_volume   964.28547336
_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  0.42548400  0.05093900  0.71313100  1
  Li  Li1  1  0.07451600  0.05093900  0.28686900  1
  Li  Li2  1  0.76082600  0.20299200  0.81993100  1
  Li  Li3  1  0.73917400  0.20299200  0.18006900  1
  Li  Li4  1  0.26082600  0.29700800  0.68006900  1
  Li  Li5  1  0.23917400  0.29700800  0.31993100  1
  Li  Li6  1  0.92548400  0.44906100  0.78686900  1
  Li  Li7  1  0.57451600  0.44906100  0.21313100  1
  Li  Li8  1  0.42548400  0.55093900  0.78686900  1
  Li  Li9  1  0.07451600  0.55093900  0.21313100  1
  Li  Li10  1  0.76082600  0.70299200  0.68006900  1
  Li  Li11  1  0.73917400  0.70299200  0.31993100  1
  Li  Li12  1  0.26082600  0.79700800  0.81993100  1
  Li  Li13  1  0.23917400  0.79700800  0.18006900  1
  Li  Li14  1  0.92548400  0.94906100  0.71313100  1
  Li  Li15  1  0.57451600  0.94906100  0.28686900  1
  Fe  Fe16  1  0.04655300  0.25280100  0.10404600  1
  Fe  Fe17  1  0.45344700  0.25280100  0.89595400  1
  Fe  Fe18  1  0.95344700  0.24719900  0.60404600  1
  Fe  Fe19  1  0.54655300  0.24719900  0.39595400  1
  Fe  Fe20  1  0.45344700  0.75280100  0.60404600  1
  Fe  Fe21  1  0.04655300  0.75280100  0.39595400  1
  Fe  Fe22  1  0.95344700  0.74719900  0.89595400  1
  Fe  Fe23  1  0.54655300  0.74719900  0.10404600  1
  P  P24  1  0.25000000  0.05246500  0.50000000  1
  P  P25  1  0.10445300  0.10460500  0.84815600  1
  P  P26  1  0.39554700  0.10460500  0.15184400  1
  P  P27  1  0.60445300  0.39539500  0.65184400  1
  P  P28  1  0.89554700  0.39539500  0.34815600  1
  P  P29  1  0.75000000  0.44753500  0.00000000  1
  P  P30  1  0.25000000  0.55246500  0.00000000  1
  P  P31  1  0.10445300  0.60460500  0.65184400  1
  P  P32  1  0.39554700  0.60460500  0.34815600  1
  P  P33  1  0.60445300  0.89539500  0.84815600  1
  P  P34  1  0.89554700  0.89539500  0.15184400  1
  P  P35  1  0.75000000  0.94753500  0.50000000  1
  O  O36  1  0.85678200  0.04253200  0.57299600  1
  O  O37  1  0.64321800  0.04253200  0.42700400  1
  O  O38  1  0.59151200  0.06690200  0.82939900  1
  O  O39  1  0.90848800  0.06690200  0.17060100  1
  O  O40  1  0.16139600  0.15549200  0.57948500  1
  O  O41  1  0.33860400  0.15549200  0.42051500  1
  O  O42  1  0.26451000  0.15624600  0.80853400  1
  O  O43  1  0.23549000  0.15624600  0.19146600  1
  O  O44  1  0.07841700  0.15069500  0.96632200  1
  O  O45  1  0.42158300  0.15069500  0.03367800  1
  O  O46  1  0.97520500  0.17382700  0.77499700  1
  O  O47  1  0.52479500  0.17382700  0.22500300  1
  O  O48  1  0.47520500  0.32617300  0.72500300  1
  O  O49  1  0.02479500  0.32617300  0.27499700  1
  O  O50  1  0.57841700  0.34930500  0.53367800  1
  O  O51  1  0.92158300  0.34930500  0.46632200  1
  O  O52  1  0.76451000  0.34375400  0.69146600  1
  O  O53  1  0.73549000  0.34375400  0.30853400  1
  O  O54  1  0.66139600  0.34450800  0.92051500  1
  O  O55  1  0.83860400  0.34450800  0.07948500  1
  O  O56  1  0.09151200  0.43309800  0.67060100  1
  O  O57  1  0.40848800  0.43309800  0.32939900  1
  O  O58  1  0.35678200  0.45746800  0.92700400  1
  O  O59  1  0.14321800  0.45746800  0.07299600  1
  O  O60  1  0.64321800  0.54253200  0.07299600  1
  O  O61  1  0.85678200  0.54253200  0.92700400  1
  O  O62  1  0.59151200  0.56690200  0.67060100  1
  O  O63  1  0.90848800  0.56690200  0.32939900  1
  O  O64  1  0.16139600  0.65549200  0.92051500  1
  O  O65  1  0.33860400  0.65549200  0.07948500  1
  O  O66  1  0.26451000  0.65624600  0.69146600  1
  O  O67  1  0.23549000  0.65624600  0.30853400  1
  O  O68  1  0.07841700  0.65069500  0.53367800  1
  O  O69  1  0.42158300  0.65069500  0.46632200  1
  O  O70  1  0.97520500  0.67382700  0.72500300  1
  O  O71  1  0.52479500  0.67382700  0.27499700  1
  O  O72  1  0.47520500  0.82617300  0.77499700  1
  O  O73  1  0.02479500  0.82617300  0.22500300  1
  O  O74  1  0.57841700  0.84930500  0.96632200  1
  O  O75  1  0.92158300  0.84930500  0.03367800  1
  O  O76  1  0.76451000  0.84375400  0.80853400  1
  O  O77  1  0.73549000  0.84375400  0.19146600  1
  O  O78  1  0.66139600  0.84450800  0.57948500  1
  O  O79  1  0.83860400  0.84450800  0.42051500  1
  O  O80  1  0.09151200  0.93309800  0.82939900  1
  O  O81  1  0.40848800  0.93309800  0.17060100  1
  O  O82  1  0.35678200  0.95746800  0.57299600  1
  O  O83  1  0.14321800  0.95746800  0.42700400  1
