# generated using pymatgen
data_KFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54471752
_cell_length_b   6.54471752
_cell_length_c   5.35945095
_cell_angle_alpha   78.20264736
_cell_angle_beta   78.20264736
_cell_angle_gamma   114.60053525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeS2
_chemical_formula_sum   'K2 Fe2 S4'
_cell_volume   193.20175032
_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
  K  K0  1  0.64129242  0.35870758  0.75000000  1.0
  K  K1  1  0.35870758  0.64129242  0.25000000  1.0
  Fe  Fe2  1  0.99372826  0.00627174  0.25000000  1.0
  Fe  Fe3  1  0.00627174  0.99372826  0.75000000  1.0
  S  S4  1  0.30418627  0.08976933  0.39205273  1.0
  S  S5  1  0.91023067  0.69581373  0.10794727  1.0
  S  S6  1  0.08976933  0.30418627  0.89205273  1.0
  S  S7  1  0.69581373  0.91023067  0.60794727  1.0