# generated using pymatgen
data_FeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80574157
_cell_length_b   3.80574157
_cell_length_c   6.25314076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuS2
_chemical_formula_sum   'Fe1 Cu1 S2'
_cell_volume   78.43455279
_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  0.66666700  0.33333300  0.63201900  1
  Cu  Cu1  1  0.00000000  0.00000000  0.35643400  1
  S  S2  1  0.00000000  0.00000000  0.74290600  1
  S  S3  1  0.66666700  0.33333300  0.26864100  1
