# generated using pymatgen
data_Li3(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14444200
_cell_length_b   9.85472900
_cell_length_c   10.27912600
_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   622.41969239
_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  0.03925100  0.15233600  0.09238800  1
  Li  Li1  1  0.03925100  0.15233600  0.40761200  1
  Li  Li2  1  0.09796700  0.76430900  0.25000000  1
  Li  Li3  1  0.40203300  0.26430900  0.75000000  1
  Li  Li4  1  0.46074900  0.65233600  0.90761200  1
  Li  Li5  1  0.46074900  0.65233600  0.59238800  1
  Li  Li6  1  0.53925100  0.34766400  0.09238800  1
  Li  Li7  1  0.53925100  0.34766400  0.40761200  1
  Li  Li8  1  0.59796700  0.73569100  0.25000000  1
  Li  Li9  1  0.90203300  0.23569100  0.75000000  1
  Li  Li10  1  0.96074900  0.84766400  0.59238800  1
  Li  Li11  1  0.96074900  0.84766400  0.90761200  1
  Fe  Fe12  1  0.04928600  0.47329500  0.12578400  1
  Fe  Fe13  1  0.04928600  0.47329500  0.37421600  1
  Fe  Fe14  1  0.45071400  0.97329500  0.62578400  1
  Fe  Fe15  1  0.45071400  0.97329500  0.87421600  1
  Fe  Fe16  1  0.54928600  0.02670500  0.12578400  1
  Fe  Fe17  1  0.54928600  0.02670500  0.37421600  1
  Fe  Fe18  1  0.95071400  0.52670500  0.62578400  1
  Fe  Fe19  1  0.95071400  0.52670500  0.87421600  1
  S  S20  1  0.14130600  0.67307300  0.75000000  1
  S  S21  1  0.18681700  0.36580500  0.55074600  1
  S  S22  1  0.18681700  0.36580500  0.94925400  1
  S  S23  1  0.17484300  0.04819400  0.75000000  1
  S  S24  1  0.32515700  0.54819400  0.25000000  1
  S  S25  1  0.31318300  0.86580500  0.05074600  1
  S  S26  1  0.31318300  0.86580500  0.44925400  1
  S  S27  1  0.35869400  0.17307300  0.25000000  1
  S  S28  1  0.64130600  0.82692700  0.75000000  1
  S  S29  1  0.68681700  0.13419500  0.55074600  1
  S  S30  1  0.68681700  0.13419500  0.94925400  1
  S  S31  1  0.67484300  0.45180600  0.75000000  1
  S  S32  1  0.82515700  0.95180600  0.25000000  1
  S  S33  1  0.81318300  0.63419500  0.05074600  1
  S  S34  1  0.81318300  0.63419500  0.44925400  1
  S  S35  1  0.85869400  0.32692700  0.25000000  1
