# generated using pymatgen
data_FeCu3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70114900
_cell_length_b   5.69173300
_cell_length_c   12.79109200
_cell_angle_alpha   64.05931473
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu3S8
_chemical_formula_sum   'Fe2 Cu6 S16'
_cell_volume   373.24475669
_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  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.99683000  0.25103400  0.75086400  1.0
  Cu  Cu3  1  0.00317000  0.74896600  0.24913600  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.49683000  0.74896600  0.74913600  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu7  1  0.50317000  0.25103400  0.25086400  1.0
  S  S8  1  0.87871600  0.95043700  0.95147400  1.0
  S  S9  1  0.90275200  0.42763700  0.45138500  1.0
  S  S10  1  0.89700600  0.40114500  0.20011200  1.0
  S  S11  1  0.90435800  0.90856600  0.68888900  1.0
  S  S12  1  0.59724800  0.42763700  0.95138500  1.0
  S  S13  1  0.59564200  0.90856600  0.18888900  1.0
  S  S14  1  0.60299400  0.40114500  0.70011200  1.0
  S  S15  1  0.62128400  0.95043700  0.45147400  1.0
  S  S16  1  0.40275200  0.57236300  0.04861500  1.0
  S  S17  1  0.37871600  0.04956300  0.54852600  1.0
  S  S18  1  0.40435800  0.09143400  0.81111100  1.0
  S  S19  1  0.39700600  0.59885500  0.29988800  1.0
  S  S20  1  0.10299400  0.59885500  0.79988800  1.0
  S  S21  1  0.09564200  0.09143400  0.31111100  1.0
  S  S22  1  0.12128400  0.04956300  0.04852600  1.0
  S  S23  1  0.09724800  0.57236300  0.54861500  1.0