# generated using pymatgen
data_In2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54973102
_cell_length_b   7.54973102
_cell_length_c   7.54973102
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeS4
_chemical_formula_sum   'In4 Fe2 S8'
_cell_volume   304.28422581
_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
  In  In0  1  0.12500000  0.62500000  0.62500000  1.0
  In  In1  1  0.62500000  0.62500000  0.62500000  1.0
  In  In2  1  0.62500000  0.12500000  0.62500000  1.0
  In  In3  1  0.62500000  0.62500000  0.12500000  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe5  1  0.25000000  0.25000000  0.25000000  1.0
  S  S6  1  0.87377200  0.87377200  0.87377200  1.0
  S  S7  1  0.87131600  0.37622800  0.37622800  1.0
  S  S8  1  0.37622800  0.37622800  0.87131600  1.0
  S  S9  1  0.37622800  0.87131600  0.37622800  1.0
  S  S10  1  0.87377200  0.87377200  0.37868400  1.0
  S  S11  1  0.87377200  0.37868400  0.87377200  1.0
  S  S12  1  0.37622800  0.37622800  0.37622800  1.0
  S  S13  1  0.37868400  0.87377200  0.87377200  1.0