# generated using pymatgen
data_FeCu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35175115
_cell_length_b   6.35175115
_cell_length_c   6.35175115
_cell_angle_alpha   131.44757802
_cell_angle_beta   131.44757802
_cell_angle_gamma   71.10292929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu3S4
_chemical_formula_sum   'Fe1 Cu3 S4'
_cell_volume   140.96742233
_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  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu3  1  0.25000000  0.75000000  0.50000000  1.0
  S  S4  1  0.12108900  0.63384800  0.00000000  1.0
  S  S5  1  0.63384800  0.12108900  0.00000000  1.0
  S  S6  1  0.87891100  0.87891100  0.51276000  1.0
  S  S7  1  0.36615200  0.36615200  0.48724000  1.0