# generated using pymatgen
data_Li4Fe7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99864096
_cell_length_b   8.99864096
_cell_length_c   6.51378026
_cell_angle_alpha   80.94844033
_cell_angle_beta   80.94844033
_cell_angle_gamma   103.28386750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe7(PO4)6
_chemical_formula_sum   'Li4 Fe7 P6 O24'
_cell_volume   496.57417499
_cell_formula_units_Z   1
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  0.75959200  0.75959200  0.46407600  1
  Li  Li1  1  0.57319800  0.33830100  0.52703000  1
  Li  Li2  1  0.33830100  0.57319800  0.52703000  1
  Li  Li3  1  0.06490200  0.06490200  0.55342500  1
  Fe  Fe4  1  0.99121700  0.35737500  0.18117200  1
  Fe  Fe5  1  0.35737500  0.99121700  0.18117200  1
  Fe  Fe6  1  0.63972600  0.35308800  0.01549700  1
  Fe  Fe7  1  0.35308800  0.63972600  0.01549700  1
  Fe  Fe8  1  0.99368100  0.99368100  0.00999300  1
  Fe  Fe9  1  0.64262300  0.00547700  0.80971300  1
  Fe  Fe10  1  0.00547700  0.64262300  0.80971300  1
  P  P11  1  0.28251100  0.89715100  0.70936100  1
  P  P12  1  0.89715100  0.28251100  0.70936100  1
  P  P13  1  0.67364900  0.67364900  0.07260200  1
  P  P14  1  0.31158600  0.31158600  0.91718000  1
  P  P15  1  0.71144000  0.08574300  0.29349800  1
  P  P16  1  0.08574300  0.71144000  0.29349800  1
  O  O17  1  0.58258500  0.75991800  0.92679200  1
  O  O18  1  0.75991800  0.58258500  0.92679200  1
  O  O19  1  0.79217400  0.79217400  0.15272500  1
  O  O20  1  0.95660000  0.38340300  0.86813100  1
  O  O21  1  0.38340300  0.95660000  0.86813100  1
  O  O22  1  0.89439700  0.10458000  0.76882500  1
  O  O23  1  0.10458000  0.89439700  0.76882500  1
  O  O24  1  0.71889700  0.27840400  0.72797000  1
  O  O25  1  0.27840400  0.71889700  0.72797000  1
  O  O26  1  0.55424800  0.55424800  0.25461400  1
  O  O27  1  0.41962400  0.41962400  0.71443100  1
  O  O28  1  0.11186500  0.89134600  0.21835600  1
  O  O29  1  0.89134600  0.11186500  0.21835600  1
  O  O30  1  0.25264500  0.68914600  0.30661400  1
  O  O31  1  0.68914600  0.25264500  0.30661400  1
  O  O32  1  0.66530000  0.96537600  0.50559000  1
  O  O33  1  0.96537600  0.66530000  0.50559000  1
  O  O34  1  0.18508100  0.18508100  0.86906500  1
  O  O35  1  0.61404400  0.02801800  0.13007200  1
  O  O36  1  0.02801800  0.61404400  0.13007200  1
  O  O37  1  0.41423800  0.23529700  0.05540400  1
  O  O38  1  0.23529700  0.41423800  0.05540400  1
  O  O39  1  0.34544400  0.00110300  0.48908400  1
  O  O40  1  0.00110300  0.34544400  0.48908400  1
