# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80583200
_cell_length_b   7.07361368
_cell_length_c   7.40666526
_cell_angle_alpha   84.04074818
_cell_angle_beta   77.19689475
_cell_angle_gamma   84.67761167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li2 Fe2 P6 O18'
_cell_volume   344.93055561
_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  0.92866200  0.72511100  0.87008100  1
  Li  Li1  1  0.07133800  0.27488900  0.12991900  1
  Fe  Fe2  1  0.43949700  0.85384900  0.84872000  1
  Fe  Fe3  1  0.56050300  0.14615100  0.15128000  1
  P  P4  1  0.77259100  0.84809600  0.45100800  1
  P  P5  1  0.15192800  0.70234700  0.22290000  1
  P  P6  1  0.58397400  0.61980800  0.22228300  1
  P  P7  1  0.41602600  0.38019200  0.77771700  1
  P  P8  1  0.84807200  0.29765300  0.77710000  1
  P  P9  1  0.22740900  0.15190400  0.54899200  1
  O  O10  1  0.25909600  0.97141200  0.66756800  1
  O  O11  1  0.71334000  0.84902600  0.66001600  1
  O  O12  1  0.19686600  0.86658300  0.07444900  1
  O  O13  1  0.63732600  0.76867600  0.05810400  1
  O  O14  1  0.00825900  0.77948500  0.40952600  1
  O  O15  1  0.66702800  0.67444200  0.39535900  1
  O  O16  1  0.34612000  0.64431300  0.31106400  1
  O  O17  1  0.35788100  0.58559400  0.80415000  1
  O  O18  1  0.93510900  0.46574000  0.82627700  1
  O  O19  1  0.06489100  0.53426000  0.17372300  1
  O  O20  1  0.64211900  0.41440600  0.19585000  1
  O  O21  1  0.65388000  0.35568700  0.68893600  1
  O  O22  1  0.33297200  0.32555800  0.60464100  1
  O  O23  1  0.99174100  0.22051500  0.59047400  1
  O  O24  1  0.36267400  0.23132400  0.94189600  1
  O  O25  1  0.80313400  0.13341700  0.92555100  1
  O  O26  1  0.28666000  0.15097400  0.33998400  1
  O  O27  1  0.74090400  0.02858800  0.33243200  1
