# generated using pymatgen
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19567031
_cell_length_b   10.19567031
_cell_length_c   10.19567031
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(PO4)3
_chemical_formula_sum   'Li12 Fe8 P12 O48'
_cell_volume   815.87844662
_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  0.75000000  0.12500000  0.37500000  1
  Li  Li1  1  0.37500000  0.12500000  0.25000000  1
  Li  Li2  1  0.87500000  0.62500000  0.25000000  1
  Li  Li3  1  0.25000000  0.37500000  0.12500000  1
  Li  Li4  1  0.37500000  0.75000000  0.12500000  1
  Li  Li5  1  0.62500000  0.25000000  0.87500000  1
  Li  Li6  1  0.12500000  0.25000000  0.37500000  1
  Li  Li7  1  0.87500000  0.75000000  0.62500000  1
  Li  Li8  1  0.75000000  0.62500000  0.87500000  1
  Li  Li9  1  0.62500000  0.87500000  0.75000000  1
  Li  Li10  1  0.12500000  0.37500000  0.75000000  1
  Li  Li11  1  0.25000000  0.87500000  0.62500000  1
  Fe  Fe12  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe13  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe14  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe15  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe16  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe17  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe18  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe19  1  0.00000000  0.50000000  0.50000000  1
  P  P20  1  0.87500000  0.25000000  0.12500000  1
  P  P21  1  0.62500000  0.37500000  0.25000000  1
  P  P22  1  0.87500000  0.12500000  0.75000000  1
  P  P23  1  0.75000000  0.87500000  0.12500000  1
  P  P24  1  0.75000000  0.37500000  0.62500000  1
  P  P25  1  0.62500000  0.75000000  0.37500000  1
  P  P26  1  0.37500000  0.25000000  0.62500000  1
  P  P27  1  0.25000000  0.62500000  0.37500000  1
  P  P28  1  0.25000000  0.12500000  0.87500000  1
  P  P29  1  0.12500000  0.87500000  0.25000000  1
  P  P30  1  0.37500000  0.62500000  0.75000000  1
  P  P31  1  0.12500000  0.75000000  0.87500000  1
  O  O32  1  0.89015000  0.00682300  0.29905100  1
  O  O33  1  0.88332700  0.39015000  0.09109900  1
  O  O34  1  0.90890100  0.29222800  0.29905100  1
  O  O35  1  0.90890100  0.11667300  0.60985000  1
  O  O36  1  0.99317700  0.70094900  0.10985000  1
  O  O37  1  0.59109900  0.20094900  0.20777200  1
  O  O38  1  0.61667300  0.40890100  0.10985000  1
  O  O39  1  0.20777200  0.11667300  0.00682300  1
  O  O40  1  0.89015000  0.38332700  0.59109900  1
  O  O41  1  0.60985000  0.20094900  0.49317700  1
  O  O42  1  0.70777200  0.70094900  0.09109900  1
  O  O43  1  0.79905100  0.50682300  0.39015000  1
  O  O44  1  0.11667300  0.00682300  0.20777200  1
  O  O45  1  0.70094900  0.09109900  0.70777200  1
  O  O46  1  0.49317700  0.38332700  0.29222800  1
  O  O47  1  0.00682300  0.20777200  0.11667300  1
  O  O48  1  0.49317700  0.60985000  0.20094900  1
  O  O49  1  0.40890100  0.10985000  0.61667300  1
  O  O50  1  0.38332700  0.29222800  0.49317700  1
  O  O51  1  0.79905100  0.79222800  0.40890100  1
  O  O52  1  0.70094900  0.10985000  0.99317700  1
  O  O53  1  0.70777200  0.50682300  0.61667300  1
  O  O54  1  0.79222800  0.40890100  0.79905100  1
  O  O55  1  0.60985000  0.90890100  0.11667300  1
  O  O56  1  0.29222800  0.49317700  0.38332700  1
  O  O57  1  0.20777200  0.59109900  0.20094900  1
  O  O58  1  0.39015000  0.09109900  0.88332700  1
  O  O59  1  0.61667300  0.70777200  0.50682300  1
  O  O60  1  0.29905100  0.89015000  0.00682300  1
  O  O61  1  0.20094900  0.20777200  0.59109900  1
  O  O62  1  0.59109900  0.89015000  0.38332700  1
  O  O63  1  0.50682300  0.39015000  0.79905100  1
  O  O64  1  0.99317700  0.79222800  0.88332700  1
  O  O65  1  0.50682300  0.61667300  0.70777200  1
  O  O66  1  0.88332700  0.99317700  0.79222800  1
  O  O67  1  0.20094900  0.49317700  0.60985000  1
  O  O68  1  0.29905100  0.90890100  0.29222800  1
  O  O69  1  0.10985000  0.61667300  0.40890100  1
  O  O70  1  0.29222800  0.29905100  0.90890100  1
  O  O71  1  0.39015000  0.79905100  0.50682300  1
  O  O72  1  0.79222800  0.88332700  0.99317700  1
  O  O73  1  0.38332700  0.59109900  0.89015000  1
  O  O74  1  0.00682300  0.29905100  0.89015000  1
  O  O75  1  0.09109900  0.88332700  0.39015000  1
  O  O76  1  0.40890100  0.79905100  0.79222800  1
  O  O77  1  0.09109900  0.70777200  0.70094900  1
  O  O78  1  0.11667300  0.60985000  0.90890100  1
  O  O79  1  0.10985000  0.99317700  0.70094900  1
