# generated using pymatgen
data_V3FeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59459163
_cell_length_b   5.59459163
_cell_length_c   16.68769983
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3FeS6
_chemical_formula_sum   'V9 Fe3 S18'
_cell_volume   452.33885408
_cell_formula_units_Z   3
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
  V  V0  1  0.66666700  0.33333300  0.00221300  1
  V  V1  1  0.00000000  0.00000000  0.33112100  1
  V  V2  1  0.00000000  0.00000000  0.00000000  1
  V  V3  1  0.33333300  0.66666700  0.33554600  1
  V  V4  1  0.66666700  0.33333300  0.66445400  1
  V  V5  1  0.66666700  0.33333300  0.33333300  1
  V  V6  1  0.00000000  0.00000000  0.66887900  1
  V  V7  1  0.33333300  0.66666700  0.99778700  1
  V  V8  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe9  1  0.33333300  0.66666700  0.16666700  1
  Fe  Fe10  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe11  1  0.66666700  0.33333300  0.83333300  1
  S  S12  1  0.00284600  0.66847000  0.08714900  1
  S  S13  1  0.66562500  0.99715400  0.08714900  1
  S  S14  1  0.33153000  0.33437500  0.08714900  1
  S  S15  1  0.66382100  0.66486300  0.24618400  1
  S  S16  1  0.00104200  0.33617900  0.24618400  1
  S  S17  1  0.33513700  0.99895800  0.24618400  1
  S  S18  1  0.66951300  0.00180400  0.42048300  1
  S  S19  1  0.33229100  0.33048700  0.42048300  1
  S  S20  1  0.99819600  0.66770900  0.42048300  1
  S  S21  1  0.33048700  0.99819600  0.57951700  1
  S  S22  1  0.66770900  0.66951300  0.57951700  1
  S  S23  1  0.00180400  0.33229100  0.57951700  1
  S  S24  1  0.33617900  0.33513700  0.75381600  1
  S  S25  1  0.99895800  0.66382100  0.75381600  1
  S  S26  1  0.66486300  0.00104200  0.75381600  1
  S  S27  1  0.99715400  0.33153000  0.91285100  1
  S  S28  1  0.33437500  0.00284600  0.91285100  1
  S  S29  1  0.66847000  0.66562500  0.91285100  1
