# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28343800
_cell_length_b   9.88648200
_cell_length_c   16.53831000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li4 Fe16 P12 O48'
_cell_volume   1027.37795452
_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  0.00000000  0.25586500  0.43412000  1
  Li  Li1  1  0.00000000  0.74413500  0.56588000  1
  Li  Li2  1  0.50000000  0.75586500  0.06588000  1
  Li  Li3  1  0.50000000  0.24413500  0.93412000  1
  Fe  Fe4  1  0.00000000  0.54369200  0.09339500  1
  Fe  Fe5  1  0.00000000  0.98714800  0.13542100  1
  Fe  Fe6  1  0.00000000  0.01285200  0.86457900  1
  Fe  Fe7  1  0.00000000  0.45630800  0.90660500  1
  Fe  Fe8  1  0.75163300  0.75362100  0.29955800  1
  Fe  Fe9  1  0.75163300  0.24637900  0.70044200  1
  Fe  Fe10  1  0.74836700  0.25362100  0.20044200  1
  Fe  Fe11  1  0.74836700  0.74637900  0.79955800  1
  Fe  Fe12  1  0.50000000  0.95630800  0.59339500  1
  Fe  Fe13  1  0.50000000  0.04369200  0.40660500  1
  Fe  Fe14  1  0.50000000  0.48714800  0.36457900  1
  Fe  Fe15  1  0.50000000  0.51285200  0.63542100  1
  Fe  Fe16  1  0.25163300  0.25362100  0.20044200  1
  Fe  Fe17  1  0.25163300  0.74637900  0.79955800  1
  Fe  Fe18  1  0.24836700  0.75362100  0.29955800  1
  Fe  Fe19  1  0.24836700  0.24637900  0.70044200  1
  P  P20  1  0.00000000  0.21444900  0.03589800  1
  P  P21  1  0.00000000  0.05026200  0.33650000  1
  P  P22  1  0.00000000  0.46054300  0.28598200  1
  P  P23  1  0.00000000  0.53945700  0.71401800  1
  P  P24  1  0.00000000  0.94973800  0.66350000  1
  P  P25  1  0.00000000  0.78555100  0.96410200  1
  P  P26  1  0.50000000  0.96054300  0.21401800  1
  P  P27  1  0.50000000  0.71444900  0.46410200  1
  P  P28  1  0.50000000  0.28555100  0.53589800  1
  P  P29  1  0.50000000  0.03945700  0.78598200  1
  P  P30  1  0.50000000  0.55026200  0.16350000  1
  P  P31  1  0.50000000  0.44973800  0.83650000  1
  O  O32  1  0.00000000  0.36967400  0.02346200  1
  O  O33  1  0.00000000  0.11785000  0.24884600  1
  O  O34  1  0.00000000  0.40255200  0.19634100  1
  O  O35  1  0.00000000  0.85104000  0.04719200  1
  O  O36  1  0.00000000  0.61715000  0.27969000  1
  O  O37  1  0.00000000  0.10554200  0.67380200  1
  O  O38  1  0.00000000  0.89445800  0.32619800  1
  O  O39  1  0.00000000  0.38285000  0.72031000  1
  O  O40  1  0.00000000  0.14896000  0.95280800  1
  O  O41  1  0.00000000  0.59744800  0.80365900  1
  O  O42  1  0.00000000  0.88215000  0.75115400  1
  O  O43  1  0.00000000  0.63032600  0.97653800  1
  O  O44  1  0.80198200  0.16929400  0.08729300  1
  O  O45  1  0.80198200  0.83070600  0.91270700  1
  O  O46  1  0.80542700  0.89690800  0.61613400  1
  O  O47  1  0.80542700  0.10309200  0.38386600  1
  O  O48  1  0.79735900  0.40236100  0.32548900  1
  O  O49  1  0.79735900  0.59763900  0.67451100  1
  O  O50  1  0.70264100  0.90236100  0.17451100  1
  O  O51  1  0.70264100  0.09763900  0.82548900  1
  O  O52  1  0.69457300  0.39690800  0.88386600  1
  O  O53  1  0.69457300  0.60309200  0.11613400  1
  O  O54  1  0.69801800  0.33070600  0.58729300  1
  O  O55  1  0.69801800  0.66929400  0.41270700  1
  O  O56  1  0.50000000  0.35104000  0.45280800  1
  O  O57  1  0.50000000  0.86967400  0.47653800  1
  O  O58  1  0.50000000  0.13032600  0.52346200  1
  O  O59  1  0.50000000  0.64896000  0.54719200  1
  O  O60  1  0.50000000  0.88285000  0.77969000  1
  O  O61  1  0.50000000  0.60554200  0.82619800  1
  O  O62  1  0.50000000  0.61785000  0.25115400  1
  O  O63  1  0.50000000  0.90255200  0.30365900  1
  O  O64  1  0.50000000  0.09744800  0.69634100  1
  O  O65  1  0.50000000  0.39445800  0.17380200  1
  O  O66  1  0.50000000  0.11715000  0.22031000  1
  O  O67  1  0.50000000  0.38215000  0.74884600  1
  O  O68  1  0.30198200  0.66929400  0.41270700  1
  O  O69  1  0.30198200  0.33070600  0.58729300  1
  O  O70  1  0.30542700  0.60309200  0.11613400  1
  O  O71  1  0.30542700  0.39690800  0.88386600  1
  O  O72  1  0.29735900  0.90236100  0.17451100  1
  O  O73  1  0.29735900  0.09763900  0.82548900  1
  O  O74  1  0.20264100  0.40236100  0.32548900  1
  O  O75  1  0.20264100  0.59763900  0.67451100  1
  O  O76  1  0.19457300  0.10309200  0.38386600  1
  O  O77  1  0.19457300  0.89690800  0.61613400  1
  O  O78  1  0.19801800  0.16929400  0.08729300  1
  O  O79  1  0.19801800  0.83070600  0.91270700  1
