# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38750600
_cell_length_b   9.99943300
_cell_length_c   14.36779700
_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   917.69185936
_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  0.05481200  0.74098100  0.25000000  1
  Li  Li1  1  0.44518800  0.24098100  0.75000000  1
  Li  Li2  1  0.94518800  0.25901900  0.75000000  1
  Li  Li3  1  0.55481200  0.75901900  0.25000000  1
  Fe  Fe4  1  0.85814900  0.15669700  0.38764400  1
  Fe  Fe5  1  0.14185100  0.84330300  0.61235600  1
  Fe  Fe6  1  0.64615200  0.05778200  0.59463700  1
  Fe  Fe7  1  0.35384800  0.94221800  0.09463700  1
  Fe  Fe8  1  0.14185100  0.84330300  0.88764400  1
  Fe  Fe9  1  0.85384800  0.55778200  0.09463700  1
  Fe  Fe10  1  0.14615200  0.44221800  0.90536300  1
  Fe  Fe11  1  0.14615200  0.44221800  0.59463700  1
  Fe  Fe12  1  0.64185100  0.65669700  0.88764400  1
  Fe  Fe13  1  0.64615200  0.05778200  0.90536300  1
  Fe  Fe14  1  0.35814900  0.34330300  0.38764400  1
  Fe  Fe15  1  0.64185100  0.65669700  0.61235600  1
  Fe  Fe16  1  0.85384800  0.55778200  0.40536300  1
  Fe  Fe17  1  0.35814900  0.34330300  0.11235600  1
  Fe  Fe18  1  0.85814900  0.15669700  0.11235600  1
  Fe  Fe19  1  0.35384800  0.94221800  0.40536300  1
  P  P20  1  0.14533200  0.13167900  0.57306100  1
  P  P21  1  0.85466800  0.86832100  0.42693900  1
  P  P22  1  0.35466800  0.63167900  0.07306100  1
  P  P23  1  0.64533200  0.36832100  0.92693900  1
  P  P24  1  0.64533200  0.36832100  0.57306100  1
  P  P25  1  0.35466800  0.63167900  0.42693900  1
  P  P26  1  0.49607900  0.09294500  0.25000000  1
  P  P27  1  0.00392100  0.59294500  0.75000000  1
  P  P28  1  0.50392100  0.90705500  0.75000000  1
  P  P29  1  0.14533200  0.13167900  0.92693900  1
  P  P30  1  0.85466800  0.86832100  0.07306100  1
  P  P31  1  0.99607900  0.40705500  0.25000000  1
  O  O32  1  0.71062800  0.26510200  0.85289300  1
  O  O33  1  0.21062800  0.23489800  0.85289300  1
  O  O34  1  0.47012900  0.46407800  0.60893100  1
  O  O35  1  0.92025800  0.78813100  0.98513800  1
  O  O36  1  0.55478800  0.05864600  0.75000000  1
  O  O37  1  0.94521200  0.55864600  0.25000000  1
  O  O38  1  0.52987100  0.53592200  0.39106900  1
  O  O39  1  0.89983700  0.35139600  0.15897600  1
  O  O40  1  0.39983700  0.14860400  0.15897600  1
  O  O41  1  0.10016300  0.64860400  0.65897600  1
  O  O42  1  0.73676000  0.11826900  0.25000000  1
  O  O43  1  0.02987100  0.96407800  0.10893100  1
  O  O44  1  0.47012900  0.46407800  0.89106900  1
  O  O45  1  0.97012900  0.03592200  0.60893100  1
  O  O46  1  0.02987100  0.96407800  0.39106900  1
  O  O47  1  0.42025800  0.71186900  0.51486200  1
  O  O48  1  0.44521200  0.94135400  0.25000000  1
  O  O49  1  0.05478800  0.44135400  0.75000000  1
  O  O50  1  0.78937200  0.76510200  0.35289300  1
  O  O51  1  0.60016300  0.85139600  0.84102400  1
  O  O52  1  0.57974200  0.28813100  0.48513800  1
  O  O53  1  0.39983700  0.14860400  0.34102400  1
  O  O54  1  0.17150500  0.52967600  0.44970900  1
  O  O55  1  0.89983700  0.35139600  0.34102400  1
  O  O56  1  0.57974200  0.28813100  0.01486200  1
  O  O57  1  0.21062800  0.23489800  0.64710700  1
  O  O58  1  0.10016300  0.64860400  0.84102400  1
  O  O59  1  0.67150500  0.97032400  0.44970900  1
  O  O60  1  0.23676000  0.38173100  0.25000000  1
  O  O61  1  0.07974200  0.21186900  0.01486200  1
  O  O62  1  0.82849500  0.47032400  0.94970900  1
  O  O63  1  0.92025800  0.78813100  0.51486200  1
  O  O64  1  0.07974200  0.21186900  0.48513800  1
  O  O65  1  0.97012900  0.03592200  0.89106900  1
  O  O66  1  0.67150500  0.97032400  0.05029100  1
  O  O67  1  0.32849500  0.02967600  0.94970900  1
  O  O68  1  0.60016300  0.85139600  0.65897600  1
  O  O69  1  0.26324000  0.88173100  0.75000000  1
  O  O70  1  0.28937200  0.73489800  0.35289300  1
  O  O71  1  0.76324000  0.61826900  0.75000000  1
  O  O72  1  0.52987100  0.53592200  0.10893100  1
  O  O73  1  0.42025800  0.71186900  0.98513800  1
  O  O74  1  0.28937200  0.73489800  0.14710700  1
  O  O75  1  0.82849500  0.47032400  0.55029100  1
  O  O76  1  0.78937200  0.76510200  0.14710700  1
  O  O77  1  0.32849500  0.02967600  0.55029100  1
  O  O78  1  0.71062800  0.26510200  0.64710700  1
  O  O79  1  0.17150500  0.52967600  0.05029100  1
