# generated using pymatgen
data_Fe(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63919700
_cell_length_b   7.63919700
_cell_length_c   7.63919700
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(CuS)2
_chemical_formula_sum   'Fe4 Cu8 S8'
_cell_volume   315.23042764
_cell_formula_units_Z   4
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  0.62417700  0.62417700  0.12746800  1.0
  Fe  Fe1  1  0.12746800  0.62417700  0.62417700  1.0
  Fe  Fe2  1  0.62417700  0.62417700  0.62417700  1.0
  Fe  Fe3  1  0.62417700  0.12746800  0.62417700  1.0
  Cu  Cu4  1  0.36109200  0.87963600  0.87963600  1.0
  Cu  Cu5  1  0.13023500  0.13023500  0.60929500  1.0
  Cu  Cu6  1  0.87963600  0.87963600  0.87963600  1.0
  Cu  Cu7  1  0.87963600  0.87963600  0.36109200  1.0
  Cu  Cu8  1  0.87963600  0.36109200  0.87963600  1.0
  Cu  Cu9  1  0.60929500  0.13023500  0.13023500  1.0
  Cu  Cu10  1  0.13023500  0.13023500  0.13023500  1.0
  Cu  Cu11  1  0.13023500  0.60929500  0.13023500  1.0
  S  S12  1  0.74358800  0.25641200  0.25641200  1.0
  S  S13  1  0.25641200  0.25641200  0.74358800  1.0
  S  S14  1  0.25641200  0.74358800  0.74358800  1.0
  S  S15  1  0.74358800  0.74358800  0.25641200  1.0
  S  S16  1  0.75000000  0.75000000  0.75000000  1.0
  S  S17  1  0.25641200  0.74358800  0.25641200  1.0
  S  S18  1  0.25000000  0.25000000  0.25000000  1.0
  S  S19  1  0.74358800  0.25641200  0.74358800  1.0