# generated using pymatgen
data_LiFe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87851740
_cell_length_b   6.89341287
_cell_length_c   8.45611800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.44026126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(SO4)2
_chemical_formula_sum   'Li2 Fe2 S4 O16'
_cell_volume   283.09521180
_cell_formula_units_Z   2
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  0.53835700  0.97475500  0.47704500  1
  Li  Li1  1  0.96164300  0.52524500  0.97704500  1
  Fe  Fe2  1  0.49846200  0.49640500  0.49997100  1
  Fe  Fe3  1  0.00153800  0.00359500  0.99997100  1
  S  S4  1  0.04194600  0.73752800  0.32127600  1
  S  S5  1  0.45805400  0.76247200  0.82127600  1
  S  S6  1  0.95816700  0.26174400  0.67753000  1
  S  S7  1  0.54183300  0.23825600  0.17753000  1
  O  O8  1  0.31633300  0.94067800  0.85710700  1
  O  O9  1  0.18366700  0.55932200  0.35710700  1
  O  O10  1  0.68646400  0.05985200  0.14296100  1
  O  O11  1  0.81353600  0.44014800  0.64296100  1
  O  O12  1  0.74693000  0.70140000  0.37420000  1
  O  O13  1  0.75307000  0.79860000  0.87420000  1
  O  O14  1  0.25149300  0.30290500  0.62720100  1
  O  O15  1  0.24850700  0.19709500  0.12720100  1
  O  O16  1  0.04492200  0.76201700  0.14376700  1
  O  O17  1  0.45507800  0.73798300  0.64376700  1
  O  O18  1  0.95204900  0.23932800  0.85549900  1
  O  O19  1  0.54795100  0.26067200  0.35549900  1
  O  O20  1  0.17285300  0.91136200  0.39568100  1
  O  O21  1  0.32714700  0.58863800  0.89568100  1
  O  O22  1  0.82967400  0.08816600  0.60416100  1
  O  O23  1  0.67032600  0.41183400  0.10416100  1
