# generated using pymatgen
data_FeCu3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69683303
_cell_length_b   5.69683303
_cell_length_c   5.69683363
_cell_angle_alpha   89.50378707
_cell_angle_beta   89.50378707
_cell_angle_gamma   89.50378588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu3S8
_chemical_formula_sum   'Fe1 Cu3 S8'
_cell_volume   184.86382490
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  S  S4  1  0.90198300  0.09758600  0.62123800  1.0
  S  S5  1  0.09758600  0.62123800  0.90198300  1.0
  S  S6  1  0.62123800  0.90198300  0.09758600  1.0
  S  S7  1  0.39832600  0.39832600  0.39832600  1.0
  S  S8  1  0.09801700  0.90241400  0.37876200  1.0
  S  S9  1  0.90241400  0.37876200  0.09801700  1.0
  S  S10  1  0.37876200  0.09801700  0.90241400  1.0
  S  S11  1  0.60167400  0.60167400  0.60167400  1.0