# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35782500
_cell_length_b   10.11223600
_cell_length_c   13.65894200
_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   1154.40322400
_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  0.30112800  0.25000000  1
  Li  Li1  1  0.75000000  0.80112800  0.25000000  1
  Li  Li2  1  0.25000000  0.69887200  0.75000000  1
  Li  Li3  1  0.25000000  0.19887200  0.75000000  1
  Fe  Fe4  1  0.11348700  0.80257300  0.04674300  1
  Fe  Fe5  1  0.38651300  0.30257300  0.04674300  1
  Fe  Fe6  1  0.42378300  0.00378100  0.14867700  1
  Fe  Fe7  1  0.07621700  0.50378100  0.14867700  1
  Fe  Fe8  1  0.42378300  0.50378100  0.35132300  1
  Fe  Fe9  1  0.07621700  0.00378100  0.35132300  1
  Fe  Fe10  1  0.11348700  0.30257300  0.45325700  1
  Fe  Fe11  1  0.38651300  0.80257300  0.45325700  1
  Fe  Fe12  1  0.88651300  0.69742700  0.54674300  1
  Fe  Fe13  1  0.61348700  0.19742700  0.54674300  1
  Fe  Fe14  1  0.57621700  0.49621900  0.64867700  1
  Fe  Fe15  1  0.92378300  0.99621900  0.64867700  1
  Fe  Fe16  1  0.57621700  0.99621900  0.85132300  1
  Fe  Fe17  1  0.92378300  0.49621900  0.85132300  1
  Fe  Fe18  1  0.61348700  0.69742700  0.95325700  1
  Fe  Fe19  1  0.88651300  0.19742700  0.95325700  1
  P  P20  1  0.73905100  0.43215500  0.06993900  1
  P  P21  1  0.76094900  0.93215500  0.06993900  1
  P  P22  1  0.25000000  0.74912300  0.25000000  1
  P  P23  1  0.25000000  0.24912300  0.25000000  1
  P  P24  1  0.73905100  0.93215500  0.43006100  1
  P  P25  1  0.76094900  0.43215500  0.43006100  1
  P  P26  1  0.23905100  0.56784500  0.56993900  1
  P  P27  1  0.26094900  0.06784500  0.56993900  1
  P  P28  1  0.75000000  0.75087700  0.75000000  1
  P  P29  1  0.75000000  0.25087700  0.75000000  1
  P  P30  1  0.23905100  0.06784500  0.93006100  1
  P  P31  1  0.26094900  0.56784500  0.93006100  1
  O  O32  1  0.16160600  0.60401300  0.02564000  1
  O  O33  1  0.33839400  0.10401300  0.02564000  1
  O  O34  1  0.66370200  0.56922700  0.05965000  1
  O  O35  1  0.83629800  0.06922700  0.05965000  1
  O  O36  1  0.88448800  0.82194800  0.08961500  1
  O  O37  1  0.61551200  0.32194800  0.08961500  1
  O  O38  1  0.64168800  0.92547600  0.15779700  1
  O  O39  1  0.85831200  0.42547600  0.15779700  1
  O  O40  1  0.27550300  0.84168100  0.15845200  1
  O  O41  1  0.22449700  0.34168100  0.15845200  1
  O  O42  1  0.09917200  0.66548500  0.23215200  1
  O  O43  1  0.40082800  0.16548500  0.23215200  1
  O  O44  1  0.09917200  0.16548500  0.26784800  1
  O  O45  1  0.40082800  0.66548500  0.26784800  1
  O  O46  1  0.27550300  0.34168100  0.34154800  1
  O  O47  1  0.22449700  0.84168100  0.34154800  1
  O  O48  1  0.85831200  0.92547600  0.34220300  1
  O  O49  1  0.64168800  0.42547600  0.34220300  1
  O  O50  1  0.88448800  0.32194800  0.41038500  1
  O  O51  1  0.61551200  0.82194800  0.41038500  1
  O  O52  1  0.83629800  0.56922700  0.44035000  1
  O  O53  1  0.66370200  0.06922700  0.44035000  1
  O  O54  1  0.33839400  0.60401300  0.47436000  1
  O  O55  1  0.16160600  0.10401300  0.47436000  1
  O  O56  1  0.66160600  0.39598700  0.52564000  1
  O  O57  1  0.83839400  0.89598700  0.52564000  1
  O  O58  1  0.16370200  0.43077300  0.55965000  1
  O  O59  1  0.33629800  0.93077300  0.55965000  1
  O  O60  1  0.11551200  0.67805200  0.58961500  1
  O  O61  1  0.38448800  0.17805200  0.58961500  1
  O  O62  1  0.14168800  0.07452400  0.65779700  1
  O  O63  1  0.35831200  0.57452400  0.65779700  1
  O  O64  1  0.72449700  0.65831900  0.65845200  1
  O  O65  1  0.77550300  0.15831900  0.65845200  1
  O  O66  1  0.59917200  0.33451500  0.73215200  1
  O  O67  1  0.90082800  0.83451500  0.73215200  1
  O  O68  1  0.59917200  0.83451500  0.76784800  1
  O  O69  1  0.90082800  0.33451500  0.76784800  1
  O  O70  1  0.72449700  0.15831900  0.84154800  1
  O  O71  1  0.77550300  0.65831900  0.84154800  1
  O  O72  1  0.14168800  0.57452400  0.84220300  1
  O  O73  1  0.35831200  0.07452400  0.84220300  1
  O  O74  1  0.11551200  0.17805200  0.91038500  1
  O  O75  1  0.38448800  0.67805200  0.91038500  1
  O  O76  1  0.16370200  0.93077300  0.94035000  1
  O  O77  1  0.33629800  0.43077300  0.94035000  1
  O  O78  1  0.66160600  0.89598700  0.97436000  1
  O  O79  1  0.83839400  0.39598700  0.97436000  1
