# generated using pymatgen
data_FeCu5S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.79616174
_cell_length_b   12.79616174
_cell_length_c   12.79616172
_cell_angle_alpha   17.27133231
_cell_angle_beta   17.27133231
_cell_angle_gamma   17.27133218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu5S4
_chemical_formula_sum   'Fe1 Cu5 S4'
_cell_volume   161.16008251
_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  0.30530000  0.30530000  0.30530000  1.0
  Cu  Cu1  1  0.44059200  0.44059200  0.44059200  1.0
  Cu  Cu2  1  0.83125900  0.83125900  0.83125900  1.0
  Cu  Cu3  1  0.68618900  0.68618900  0.68618900  1.0
  Cu  Cu4  1  0.56584300  0.56584300  0.56584300  1.0
  Cu  Cu5  1  0.06010200  0.06010200  0.06010200  1.0
  S  S6  1  0.99328200  0.99328200  0.99328200  1.0
  S  S7  1  0.74744100  0.74744100  0.74744100  1.0
  S  S8  1  0.24689600  0.24689600  0.24689600  1.0
  S  S9  1  0.50074100  0.50074100  0.50074100  1.0