# generated using pymatgen
data_FeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70538100
_cell_length_b   3.70538100
_cell_length_c   5.21341300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuS2
_chemical_formula_sum   'Fe1 Cu1 S2'
_cell_volume   71.57936990
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.50000000  0.00000000  0.25457600  1.0
  S  S3  1  0.00000000  0.50000000  0.74542400  1.0