# generated using pymatgen
data_FeCu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22286641
_cell_length_b   5.22286641
_cell_length_c   10.33548824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu3S4
_chemical_formula_sum   'Fe2 Cu6 S8'
_cell_volume   281.93489548
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu3  1  0.00000000  0.50000000  0.25000000  1
  Cu  Cu4  1  0.50000000  0.00000000  0.25000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu6  1  0.50000000  0.00000000  0.75000000  1
  Cu  Cu7  1  0.00000000  0.50000000  0.75000000  1
  S  S8  1  0.25638000  0.74362000  0.37746900  1
  S  S9  1  0.74362000  0.25638000  0.37746900  1
  S  S10  1  0.75638000  0.75638000  0.12253100  1
  S  S11  1  0.24362000  0.24362000  0.12253100  1
  S  S12  1  0.75638000  0.24362000  0.87746900  1
  S  S13  1  0.24362000  0.75638000  0.87746900  1
  S  S14  1  0.25638000  0.25638000  0.62253100  1
  S  S15  1  0.74362000  0.74362000  0.62253100  1
