# generated using pymatgen
data_Cr2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.93233969
_cell_length_b   3.18432645
_cell_length_c   5.67351823
_cell_angle_alpha   90.00000000
_cell_angle_beta   114.96790928
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeS4
_chemical_formula_sum   'Cr4 Fe2 S8'
_cell_volume   195.42706160
_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
  Cr  Cr0  1  0.76187100  0.50000000  0.31946400  1
  Cr  Cr1  1  0.73812900  0.00000000  0.68053600  1
  Cr  Cr2  1  0.26187100  0.00000000  0.31946400  1
  Cr  Cr3  1  0.23812900  0.50000000  0.68053600  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  S  S6  1  0.86178700  0.50000000  0.02134400  1
  S  S7  1  0.63821300  0.00000000  0.97865600  1
  S  S8  1  0.60649400  0.50000000  0.43980500  1
  S  S9  1  0.89350600  0.00000000  0.56019500  1
  S  S10  1  0.36178700  0.00000000  0.02134400  1
  S  S11  1  0.13821300  0.50000000  0.97865600  1
  S  S12  1  0.10649400  0.00000000  0.43980500  1
  S  S13  1  0.39350600  0.50000000  0.56019500  1
