# generated using pymatgen
data_Li3FeSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02702500
_cell_length_b   8.96415100
_cell_length_c   12.48805800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeSi2O7
_chemical_formula_sum   'Li12 Fe4 Si8 O28'
_cell_volume   562.74949728
_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  0.03376200  0.33800100  0.09096700  1
  Li  Li1  1  0.03376200  0.33800100  0.40903300  1
  Li  Li2  1  0.03096300  0.01512700  0.25000000  1
  Li  Li3  1  0.46903700  0.51512700  0.25000000  1
  Li  Li4  1  0.46623800  0.83800100  0.09096700  1
  Li  Li5  1  0.46623800  0.83800100  0.40903300  1
  Li  Li6  1  0.53376200  0.16199900  0.59096700  1
  Li  Li7  1  0.53376200  0.16199900  0.90903300  1
  Li  Li8  1  0.53096300  0.48487300  0.75000000  1
  Li  Li9  1  0.96903700  0.98487300  0.75000000  1
  Li  Li10  1  0.96623800  0.66199900  0.90903300  1
  Li  Li11  1  0.96623800  0.66199900  0.59096700  1
  Fe  Fe12  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe13  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe14  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe15  1  0.50000000  0.50000000  0.00000000  1
  Si  Si16  1  0.00873900  0.31787200  0.63128100  1
  Si  Si17  1  0.00873900  0.31787200  0.86871900  1
  Si  Si18  1  0.49126100  0.81787200  0.63128100  1
  Si  Si19  1  0.49126100  0.81787200  0.86871900  1
  Si  Si20  1  0.50873900  0.18212800  0.13128100  1
  Si  Si21  1  0.50873900  0.18212800  0.36871900  1
  Si  Si22  1  0.99126100  0.68212800  0.13128100  1
  Si  Si23  1  0.99126100  0.68212800  0.36871900  1
  O  O24  1  0.06930700  0.86004000  0.12874900  1
  O  O25  1  0.06930700  0.86004000  0.37125100  1
  O  O26  1  0.09016300  0.61207200  0.25000000  1
  O  O27  1  0.16646700  0.60059100  0.03822700  1
  O  O28  1  0.16646700  0.60059100  0.46177300  1
  O  O29  1  0.17380100  0.85263600  0.61644600  1
  O  O30  1  0.17380100  0.85263600  0.88355400  1
  O  O31  1  0.32619900  0.35263600  0.61644600  1
  O  O32  1  0.32619900  0.35263600  0.88355400  1
  O  O33  1  0.33353300  0.10059100  0.03822700  1
  O  O34  1  0.33353300  0.10059100  0.46177300  1
  O  O35  1  0.40983700  0.11207200  0.25000000  1
  O  O36  1  0.43069300  0.36004000  0.12874900  1
  O  O37  1  0.43069300  0.36004000  0.37125100  1
  O  O38  1  0.56930700  0.63996000  0.62874900  1
  O  O39  1  0.56930700  0.63996000  0.87125100  1
  O  O40  1  0.59016300  0.88792800  0.75000000  1
  O  O41  1  0.66646700  0.89940900  0.53822700  1
  O  O42  1  0.66646700  0.89940900  0.96177300  1
  O  O43  1  0.67380100  0.64736400  0.11644600  1
  O  O44  1  0.67380100  0.64736400  0.38355400  1
  O  O45  1  0.82619900  0.14736400  0.38355400  1
  O  O46  1  0.82619900  0.14736400  0.11644600  1
  O  O47  1  0.83353300  0.39940900  0.53822700  1
  O  O48  1  0.83353300  0.39940900  0.96177300  1
  O  O49  1  0.90983700  0.38792800  0.75000000  1
  O  O50  1  0.93069300  0.13996000  0.62874900  1
  O  O51  1  0.93069300  0.13996000  0.87125100  1
