# generated using pymatgen
data_FeCu5S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62904965
_cell_length_b   3.80627396
_cell_length_c   6.75835664
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.34472427
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu5S4
_chemical_formula_sum   'Fe1 Cu5 S4'
_cell_volume   160.89923018
_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
  Fe  Fe0  1  0.86824600  0.00000000  0.61477800  1
  Cu  Cu1  1  0.61335700  0.00000000  0.85786500  1
  Cu  Cu2  1  0.36693400  0.50000000  0.59543500  1
  Cu  Cu3  1  0.38884000  0.00000000  0.14116400  1
  Cu  Cu4  1  0.12678000  0.50000000  0.86765400  1
  Cu  Cu5  1  0.87152500  0.50000000  0.13946000  1
  S  S6  1  0.99359500  0.00000000  0.98675900  1
  S  S7  1  0.50321200  0.00000000  0.49203400  1
  S  S8  1  0.49818200  0.50000000  0.99599700  1
  S  S9  1  0.99732900  0.50000000  0.49285400  1
