# generated using pymatgen
data_LiFe(Se2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92654300
_cell_length_b   10.49564200
_cell_length_c   12.19272200
_cell_angle_alpha   89.99962643
_cell_angle_beta   89.99929187
_cell_angle_gamma   90.00009876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(Se2O5)2
_chemical_formula_sum   'Li4 Fe4 Se16 O40'
_cell_volume   886.39279079
_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  0.49999700  0.27809500  0.24999300  1
  Li  Li1  1  0.50000200  0.27809400  0.75000800  1
  Li  Li2  1  0.99999800  0.77809300  0.25001300  1
  Li  Li3  1  0.00000000  0.77809300  0.74998600  1
  Fe  Fe4  1  0.50000100  0.40212100  0.50000300  1
  Fe  Fe5  1  0.99999400  0.90210100  0.00000500  1
  Fe  Fe6  1  0.49999500  0.40206500  0.00000100  1
  Fe  Fe7  1  0.00000100  0.90211400  0.49999600  1
  Se  Se8  1  0.36594800  0.00025400  0.35900100  1
  Se  Se9  1  0.36597300  0.00022700  0.85902700  1
  Se  Se10  1  0.63402400  0.00022900  0.14097300  1
  Se  Se11  1  0.63404300  0.00024300  0.64099600  1
  Se  Se12  1  0.86595400  0.50024000  0.14099500  1
  Se  Se13  1  0.86597600  0.50023100  0.64097400  1
  Se  Se14  1  0.13402400  0.50023000  0.35902600  1
  Se  Se15  1  0.13404400  0.50024000  0.85900500  1
  Se  Se16  1  0.13866900  0.19009200  0.11025500  1
  Se  Se17  1  0.13864700  0.19009900  0.61026900  1
  Se  Se18  1  0.86135200  0.19010200  0.38973100  1
  Se  Se19  1  0.86132800  0.19009200  0.88974500  1
  Se  Se20  1  0.63868500  0.69010200  0.38975100  1
  Se  Se21  1  0.63864400  0.69007900  0.88972800  1
  Se  Se22  1  0.36136300  0.69008400  0.11027100  1
  Se  Se23  1  0.36131100  0.69010100  0.61025100  1
  O  O24  1  0.49999800  0.90780000  0.25000300  1
  O  O25  1  0.50000400  0.90779600  0.74999700  1
  O  O26  1  0.99999700  0.40779500  0.24999700  1
  O  O27  1  0.00000300  0.40779500  0.75000400  1
  O  O28  1  0.00000000  0.27179400  0.00000000  1
  O  O29  1  0.00000000  0.27179000  0.50000000  1
  O  O30  1  0.50000200  0.77178300  0.00000000  1
  O  O31  1  0.50000000  0.77180000  0.50000000  1
  O  O32  1  0.29500500  0.13111100  0.29114100  1
  O  O33  1  0.29509300  0.13106900  0.79116600  1
  O  O34  1  0.70492600  0.13107500  0.20882300  1
  O  O35  1  0.70499700  0.13107800  0.70885900  1
  O  O36  1  0.79500200  0.63107800  0.20885800  1
  O  O37  1  0.79509300  0.63106900  0.70883500  1
  O  O38  1  0.20490800  0.63107000  0.29116500  1
  O  O39  1  0.20499800  0.63107900  0.79114200  1
  O  O40  1  0.16107700  0.90501100  0.36059600  1
  O  O41  1  0.16104700  0.90500500  0.86060800  1
  O  O42  1  0.83895100  0.90500600  0.13939500  1
  O  O43  1  0.83894000  0.90500300  0.63938900  1
  O  O44  1  0.66107800  0.40500400  0.13940300  1
  O  O45  1  0.66104700  0.40500600  0.63939300  1
  O  O46  1  0.33895400  0.40500700  0.36060800  1
  O  O47  1  0.33892300  0.40500500  0.86059800  1
  O  O48  1  0.18646100  0.04586800  0.04894700  1
  O  O49  1  0.18624600  0.04583400  0.54905400  1
  O  O50  1  0.81375500  0.04583400  0.45094500  1
  O  O51  1  0.81353600  0.04586700  0.95105500  1
  O  O52  1  0.68649900  0.54588400  0.45106200  1
  O  O53  1  0.68621800  0.54581400  0.95093700  1
  O  O54  1  0.31379100  0.54581800  0.04906600  1
  O  O55  1  0.31350100  0.54588400  0.54894000  1
  O  O56  1  0.35183100  0.26950700  0.09183700  1
  O  O57  1  0.35185100  0.26950000  0.59181400  1
  O  O58  1  0.64815000  0.26950100  0.40818600  1
  O  O59  1  0.64814400  0.26950500  0.90816900  1
  O  O60  1  0.85186100  0.76951500  0.40816900  1
  O  O61  1  0.85184200  0.76949300  0.90818600  1
  O  O62  1  0.14816100  0.76949400  0.09181500  1
  O  O63  1  0.14813800  0.76951500  0.59183100  1
