# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31154100
_cell_length_b   9.15363800
_cell_length_c   12.23496200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li4 Fe4 P12 O36'
_cell_volume   818.85174309
_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  0.95264200  0.99763500  1
  Li  Li1  1  0.75000000  0.45264200  0.50236500  1
  Li  Li2  1  0.25000000  0.54735800  0.49763500  1
  Li  Li3  1  0.25000000  0.04735800  0.00236500  1
  Fe  Fe4  1  0.75000000  0.52847700  0.71724200  1
  Fe  Fe5  1  0.75000000  0.02847700  0.78275800  1
  Fe  Fe6  1  0.25000000  0.97152300  0.21724200  1
  Fe  Fe7  1  0.25000000  0.47152300  0.28275800  1
  P  P8  1  0.95480500  0.74788500  0.35122500  1
  P  P9  1  0.95480500  0.24788500  0.14877500  1
  P  P10  1  0.75000000  0.30880200  0.95741900  1
  P  P11  1  0.75000000  0.80880200  0.54258100  1
  P  P12  1  0.54519500  0.24788500  0.14877500  1
  P  P13  1  0.54519500  0.74788500  0.35122500  1
  P  P14  1  0.45480500  0.25211500  0.64877500  1
  P  P15  1  0.45480500  0.75211500  0.85122500  1
  P  P16  1  0.25000000  0.19119800  0.45741900  1
  P  P17  1  0.25000000  0.69119800  0.04258100  1
  P  P18  1  0.04519500  0.25211500  0.64877500  1
  P  P19  1  0.04519500  0.75211500  0.85122500  1
  O  O20  1  0.97312400  0.65446100  0.76386900  1
  O  O21  1  0.97312400  0.15446100  0.73613100  1
  O  O22  1  0.94017500  0.88845700  0.88283300  1
  O  O23  1  0.94017500  0.38845700  0.61716700  1
  O  O24  1  0.91996000  0.34377600  0.03928600  1
  O  O25  1  0.91996000  0.84377600  0.46071400  1
  O  O26  1  0.75000000  0.69476100  0.31841800  1
  O  O27  1  0.75000000  0.91418400  0.63359400  1
  O  O28  1  0.75000000  0.41418400  0.86640600  1
  O  O29  1  0.75000000  0.14565100  0.93639900  1
  O  O30  1  0.75000000  0.19476100  0.18158200  1
  O  O31  1  0.75000000  0.64565100  0.56360100  1
  O  O32  1  0.58004000  0.34377600  0.03928600  1
  O  O33  1  0.58004000  0.84377600  0.46071400  1
  O  O34  1  0.55982500  0.88845700  0.88283300  1
  O  O35  1  0.55982500  0.38845700  0.61716700  1
  O  O36  1  0.52687600  0.65446100  0.76386900  1
  O  O37  1  0.52687600  0.15446100  0.73613100  1
  O  O38  1  0.47312400  0.84553900  0.26386900  1
  O  O39  1  0.47312400  0.34553900  0.23613100  1
  O  O40  1  0.44017500  0.11154300  0.11716700  1
  O  O41  1  0.44017500  0.61154300  0.38283300  1
  O  O42  1  0.41996000  0.15622400  0.53928600  1
  O  O43  1  0.41996000  0.65622400  0.96071400  1
  O  O44  1  0.25000000  0.85434900  0.06360100  1
  O  O45  1  0.25000000  0.58581600  0.13359400  1
  O  O46  1  0.25000000  0.35434900  0.43639900  1
  O  O47  1  0.25000000  0.08581600  0.36640600  1
  O  O48  1  0.25000000  0.30523900  0.68158200  1
  O  O49  1  0.25000000  0.80523900  0.81841800  1
  O  O50  1  0.08004000  0.15622400  0.53928600  1
  O  O51  1  0.08004000  0.65622400  0.96071400  1
  O  O52  1  0.05982500  0.61154300  0.38283300  1
  O  O53  1  0.05982500  0.11154300  0.11716700  1
  O  O54  1  0.02687600  0.34553900  0.23613100  1
  O  O55  1  0.02687600  0.84553900  0.26386900  1
