# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52559483
_cell_length_b   8.52559483
_cell_length_c   7.74518243
_cell_angle_alpha   82.51364533
_cell_angle_beta   82.51364533
_cell_angle_gamma   112.93645143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   503.82781554
_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  0.51235800  0.82099100  0.77233100  1
  Li  Li1  1  0.82099100  0.51235800  0.27233100  1
  Fe  Fe2  1  0.87842900  0.13929000  0.73720400  1
  Fe  Fe3  1  0.13929000  0.87842900  0.23720400  1
  P  P4  1  0.57734400  0.24018500  0.64862700  1
  P  P5  1  0.76582100  0.42193400  0.89120300  1
  P  P6  1  0.04537600  0.20315800  0.31328200  1
  P  P7  1  0.24018500  0.57734400  0.14862700  1
  P  P8  1  0.42193400  0.76582100  0.39120300  1
  P  P9  1  0.93861700  0.78990800  0.65685000  1
  P  P10  1  0.78990800  0.93861700  0.15685000  1
  P  P11  1  0.20315800  0.04537600  0.81328200  1
  O  O12  1  0.66153000  0.37108900  0.48273700  1
  O  O13  1  0.99709700  0.25808500  0.48199200  1
  O  O14  1  0.11237200  0.87331800  0.73618000  1
  O  O15  1  0.09106000  0.63429800  0.18640100  1
  O  O16  1  0.25808500  0.99709700  0.98199200  1
  O  O17  1  0.15382100  0.37091300  0.15996800  1
  O  O18  1  0.35981600  0.89631100  0.30364300  1
  O  O19  1  0.09241300  0.14685300  0.81812600  1
  O  O20  1  0.14685300  0.09241300  0.31812600  1
  O  O21  1  0.32988300  0.58730600  0.32201400  1
  O  O22  1  0.37108900  0.66153100  0.98273700  1
  O  O23  1  0.40468400  0.73008600  0.58578800  1
  O  O24  1  0.62322200  0.82246200  0.30447300  1
  O  O25  1  0.37091300  0.15382100  0.65996800  1
  O  O26  1  0.89631100  0.35981600  0.80364300  1
  O  O27  1  0.58730600  0.32988300  0.82201400  1
  O  O28  1  0.73947700  0.98767900  0.98557400  1
  O  O29  1  0.84246700  0.90645600  0.65609800  1
  O  O30  1  0.73008600  0.40468400  0.08578800  1
  O  O31  1  0.90645600  0.84246700  0.15609800  1
  O  O32  1  0.63429800  0.09106000  0.68640100  1
  O  O33  1  0.82246200  0.62322200  0.80447300  1
  O  O34  1  0.98767900  0.73947700  0.48557400  1
  O  O35  1  0.87331800  0.11237200  0.23618000  1
