# generated using pymatgen
data_Li3(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24058977
_cell_length_b   7.24058977
_cell_length_c   6.23060217
_cell_angle_alpha   89.87146077
_cell_angle_beta   89.87146077
_cell_angle_gamma   75.75748363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3(FeS2)2
_chemical_formula_sum   'Li6 Fe4 S8'
_cell_volume   316.60502994
_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  0.24548000  0.99150500  0.03571500  1
  Li  Li1  1  0.99150500  0.24548000  0.53571500  1
  Li  Li2  1  0.60558700  0.39441300  0.25000000  1
  Li  Li3  1  0.39441300  0.60558700  0.75000000  1
  Li  Li4  1  0.00849500  0.75452000  0.46428500  1
  Li  Li5  1  0.75452000  0.00849500  0.96428500  1
  Fe  Fe6  1  0.57388800  0.83384800  0.40758100  1
  Fe  Fe7  1  0.83384800  0.57388800  0.90758100  1
  Fe  Fe8  1  0.16615200  0.42611200  0.09241900  1
  Fe  Fe9  1  0.42611200  0.16615200  0.59241900  1
  S  S10  1  0.55593000  0.74651200  0.05657500  1
  S  S11  1  0.74651200  0.55593000  0.55657500  1
  S  S12  1  0.93759200  0.26594400  0.02284000  1
  S  S13  1  0.26594400  0.93759200  0.52284000  1
  S  S14  1  0.73405600  0.06240800  0.47716000  1
  S  S15  1  0.06240800  0.73405600  0.97716000  1
  S  S16  1  0.25348800  0.44407000  0.44342500  1
  S  S17  1  0.44407000  0.25348800  0.94342500  1
