# generated using pymatgen
data_Sc2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42911699
_cell_length_b   7.42911699
_cell_length_c   7.42911699
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeS4
_chemical_formula_sum   'Sc4 Fe2 S8'
_cell_volume   289.93229553
_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
  Sc  Sc0  1  0.12500000  0.12500000  0.12500000  1.0
  Sc  Sc1  1  0.62500000  0.12500000  0.12500000  1.0
  Sc  Sc2  1  0.12500000  0.12500000  0.62500000  1.0
  Sc  Sc3  1  0.12500000  0.62500000  0.12500000  1.0
  Fe  Fe4  1  0.75000000  0.75000000  0.75000000  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1.0
  S  S6  1  0.87854600  0.36436300  0.87854600  1.0
  S  S7  1  0.37145400  0.37145400  0.88563700  1.0
  S  S8  1  0.37145400  0.37145400  0.37145400  1.0
  S  S9  1  0.88563700  0.37145400  0.37145400  1.0
  S  S10  1  0.87854600  0.87854600  0.87854600  1.0
  S  S11  1  0.36436300  0.87854600  0.87854600  1.0
  S  S12  1  0.37145400  0.88563700  0.37145400  1.0
  S  S13  1  0.87854600  0.87854600  0.36436300  1.0