# generated using pymatgen
data_Cr2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17496295
_cell_length_b   6.17496295
_cell_length_c   5.67351830
_cell_angle_alpha   65.93091833
_cell_angle_beta   65.93091833
_cell_angle_gamma   29.88407047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeS4
_chemical_formula_sum   'Cr2 Fe1 S4'
_cell_volume   97.71352166
_cell_formula_units_Z   1
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  0.26187100  0.26187100  0.68053600  1.0
  Cr  Cr1  1  0.73812900  0.73812900  0.31946400  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.36178700  0.36178700  0.97865600  1.0
  S  S4  1  0.63821300  0.63821300  0.02134400  1.0
  S  S5  1  0.10649400  0.10649400  0.56019500  1.0
  S  S6  1  0.89350600  0.89350600  0.43980500  1.0