# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42471900
_cell_length_b   10.11167700
_cell_length_c   15.81783600
_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   1027.60070692
_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  0.25592400  0.71380200  1
  Li  Li1  1  0.25000000  0.24407600  0.21380200  1
  Li  Li2  1  0.75000000  0.75592400  0.78619800  1
  Li  Li3  1  0.25000000  0.74407600  0.28619800  1
  Fe  Fe4  1  0.25000000  0.05484900  0.62382600  1
  Fe  Fe5  1  0.75000000  0.06553900  0.12673000  1
  Fe  Fe6  1  0.49821700  0.24754200  0.94038400  1
  Fe  Fe7  1  0.00178300  0.24754200  0.94038400  1
  Fe  Fe8  1  0.50178300  0.25245800  0.44038400  1
  Fe  Fe9  1  0.99821700  0.25245800  0.44038400  1
  Fe  Fe10  1  0.25000000  0.43446100  0.62673000  1
  Fe  Fe11  1  0.75000000  0.44515100  0.12382600  1
  Fe  Fe12  1  0.25000000  0.55484900  0.87617400  1
  Fe  Fe13  1  0.75000000  0.56553900  0.37327000  1
  Fe  Fe14  1  0.00178300  0.74754200  0.55961600  1
  Fe  Fe15  1  0.49821700  0.74754200  0.55961600  1
  Fe  Fe16  1  0.50178300  0.75245800  0.05961600  1
  Fe  Fe17  1  0.99821700  0.75245800  0.05961600  1
  Fe  Fe18  1  0.25000000  0.93446100  0.87327000  1
  Fe  Fe19  1  0.75000000  0.94515100  0.37617400  1
  P  P20  1  0.75000000  0.03194100  0.56451500  1
  P  P21  1  0.25000000  0.04499500  0.06012800  1
  P  P22  1  0.25000000  0.20265700  0.77140000  1
  P  P23  1  0.75000000  0.29734300  0.27140000  1
  P  P24  1  0.75000000  0.45500500  0.56012800  1
  P  P25  1  0.25000000  0.46805900  0.06451500  1
  P  P26  1  0.75000000  0.53194100  0.93548500  1
  P  P27  1  0.25000000  0.54499500  0.43987200  1
  P  P28  1  0.25000000  0.70265700  0.72860000  1
  P  P29  1  0.75000000  0.79734300  0.22860000  1
  P  P30  1  0.75000000  0.95500500  0.93987200  1
  P  P31  1  0.25000000  0.96805900  0.43548500  1
  O  O32  1  0.25000000  0.04893100  0.76547500  1
  O  O33  1  0.94186000  0.06392800  0.61736800  1
  O  O34  1  0.55814000  0.06392800  0.61736800  1
  O  O35  1  0.05796400  0.09740900  0.10678900  1
  O  O36  1  0.44203600  0.09740900  0.10678900  1
  O  O37  1  0.25000000  0.10481000  0.96693400  1
  O  O38  1  0.75000000  0.10932300  0.95069300  1
  O  O39  1  0.75000000  0.11734300  0.47996800  1
  O  O40  1  0.25000000  0.11724900  0.46602400  1
  O  O41  1  0.54628900  0.24685500  0.31493300  1
  O  O42  1  0.95371100  0.24685500  0.31493300  1
  O  O43  1  0.25000000  0.24752800  0.67819000  1
  O  O44  1  0.75000000  0.25247200  0.17819000  1
  O  O45  1  0.04628900  0.25314500  0.81493300  1
  O  O46  1  0.45371100  0.25314500  0.81493300  1
  O  O47  1  0.75000000  0.38275100  0.96602400  1
  O  O48  1  0.25000000  0.38265700  0.97996800  1
  O  O49  1  0.25000000  0.39067700  0.45069300  1
  O  O50  1  0.75000000  0.39519000  0.46693400  1
  O  O51  1  0.94203600  0.40259100  0.60678900  1
  O  O52  1  0.55796400  0.40259100  0.60678900  1
  O  O53  1  0.05814000  0.43607200  0.11736800  1
  O  O54  1  0.44186000  0.43607200  0.11736800  1
  O  O55  1  0.75000000  0.45106900  0.26547500  1
  O  O56  1  0.25000000  0.54893100  0.73452500  1
  O  O57  1  0.55814000  0.56392800  0.88263200  1
  O  O58  1  0.94186000  0.56392800  0.88263200  1
  O  O59  1  0.05796400  0.59740900  0.39321100  1
  O  O60  1  0.44203600  0.59740900  0.39321100  1
  O  O61  1  0.25000000  0.60481000  0.53306600  1
  O  O62  1  0.75000000  0.60932300  0.54930700  1
  O  O63  1  0.75000000  0.61734300  0.02003200  1
  O  O64  1  0.25000000  0.61724900  0.03397600  1
  O  O65  1  0.54628900  0.74685500  0.18506700  1
  O  O66  1  0.95371100  0.74685500  0.18506700  1
  O  O67  1  0.25000000  0.74752800  0.82181000  1
  O  O68  1  0.75000000  0.75247200  0.32181000  1
  O  O69  1  0.04628900  0.75314500  0.68506700  1
  O  O70  1  0.45371100  0.75314500  0.68506700  1
  O  O71  1  0.75000000  0.88275100  0.53397600  1
  O  O72  1  0.25000000  0.88265700  0.52003200  1
  O  O73  1  0.25000000  0.89067700  0.04930700  1
  O  O74  1  0.75000000  0.89519000  0.03306600  1
  O  O75  1  0.55796400  0.90259100  0.89321100  1
  O  O76  1  0.94203600  0.90259100  0.89321100  1
  O  O77  1  0.05814000  0.93607200  0.38263200  1
  O  O78  1  0.44186000  0.93607200  0.38263200  1
  O  O79  1  0.75000000  0.95106900  0.23452500  1
