# generated using pymatgen
data_Li3(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45941200
_cell_length_b   9.21741300
_cell_length_c   11.06199000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3(FeS2)2
_chemical_formula_sum   'Li12 Fe8 S16'
_cell_volume   658.62057639
_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  0.93650700  0.43799300  0.75000000  1
  Li  Li1  1  0.10804500  0.66088800  0.54953500  1
  Li  Li2  1  0.10804500  0.66088800  0.95046500  1
  Li  Li3  1  0.39195500  0.16088800  0.45046500  1
  Li  Li4  1  0.39195500  0.16088800  0.04953500  1
  Li  Li5  1  0.56349300  0.93799300  0.25000000  1
  Li  Li6  1  0.43650700  0.06200700  0.75000000  1
  Li  Li7  1  0.60804500  0.83911200  0.54953500  1
  Li  Li8  1  0.60804500  0.83911200  0.95046500  1
  Li  Li9  1  0.89195500  0.33911200  0.04953500  1
  Li  Li10  1  0.89195500  0.33911200  0.45046500  1
  Li  Li11  1  0.06349300  0.56200700  0.25000000  1
  Fe  Fe12  1  0.03703200  0.97415000  0.12681700  1
  Fe  Fe13  1  0.03703200  0.97415000  0.37318300  1
  Fe  Fe14  1  0.46296800  0.47415000  0.62681700  1
  Fe  Fe15  1  0.46296800  0.47415000  0.87318300  1
  Fe  Fe16  1  0.53703200  0.52585000  0.12681700  1
  Fe  Fe17  1  0.53703200  0.52585000  0.37318300  1
  Fe  Fe18  1  0.96296800  0.02585000  0.62681700  1
  Fe  Fe19  1  0.96296800  0.02585000  0.87318300  1
  S  S20  1  0.10509000  0.19182200  0.75000000  1
  S  S21  1  0.24632800  0.10474300  0.25000000  1
  S  S22  1  0.23975200  0.91507100  0.53530100  1
  S  S23  1  0.23975200  0.91507100  0.96469900  1
  S  S24  1  0.26024800  0.41507100  0.03530100  1
  S  S25  1  0.26024800  0.41507100  0.46469900  1
  S  S26  1  0.25367200  0.60474300  0.75000000  1
  S  S27  1  0.39491000  0.69182200  0.25000000  1
  S  S28  1  0.60509000  0.30817800  0.75000000  1
  S  S29  1  0.74632800  0.39525700  0.25000000  1
  S  S30  1  0.73975200  0.58492900  0.53530100  1
  S  S31  1  0.73975200  0.58492900  0.96469900  1
  S  S32  1  0.76024800  0.08492900  0.03530100  1
  S  S33  1  0.76024800  0.08492900  0.46469900  1
  S  S34  1  0.75367200  0.89525700  0.75000000  1
  S  S35  1  0.89491000  0.80817800  0.25000000  1
