# generated using pymatgen
data_Fe5Ni7S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64695000
_cell_length_b   6.71521941
_cell_length_c   21.96322665
_cell_angle_alpha   82.05088265
_cell_angle_beta   81.66442104
_cell_angle_gamma   60.58007235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Ni7S16
_chemical_formula_sum   'Fe10 Ni14 S32'
_cell_volume   842.33811086
_cell_formula_units_Z   2
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  0.84338800  0.84660900  0.96741700  1.0
  Fe  Fe1  1  0.37489700  0.37484100  0.87465900  1.0
  Fe  Fe2  1  0.25161600  0.24691600  0.74719900  1.0
  Fe  Fe3  1  0.12570000  0.12530400  0.62554000  1.0
  Fe  Fe4  1  0.99804900  0.00108800  0.50147300  1.0
  Fe  Fe5  1  0.62395200  0.12529400  0.62527600  1.0
  Fe  Fe6  1  0.87464500  0.87495500  0.37476600  1.0
  Fe  Fe7  1  0.75250400  0.74924300  0.24861400  1.0
  Fe  Fe8  1  0.63013400  0.62584400  0.12627900  1.0
  Fe  Fe9  1  0.11765800  0.62592600  0.12633700  1.0
  Ni  Ni10  1  0.50072700  0.49975900  0.00012100  1.0
  Ni  Ni11  1  0.59500300  0.59385100  0.71932300  1.0
  Ni  Ni12  1  0.87536500  0.37492500  0.87501100  1.0
  Ni  Ni13  1  0.34248500  0.34739500  0.46774900  1.0
  Ni  Ni14  1  0.37492400  0.87569600  0.87479800  1.0
  Ni  Ni15  1  0.90748800  0.90269600  0.78211900  1.0
  Ni  Ni16  1  0.09543500  0.09379000  0.21939900  1.0
  Ni  Ni17  1  0.12488200  0.62509600  0.62496700  1.0
  Ni  Ni18  1  0.65500300  0.65556200  0.53084300  1.0
  Ni  Ni19  1  0.37487400  0.87513000  0.37498300  1.0
  Ni  Ni20  1  0.87508900  0.37482600  0.37500900  1.0
  Ni  Ni21  1  0.40754600  0.40309600  0.28202800  1.0
  Ni  Ni22  1  0.62433500  0.12651200  0.12491100  1.0
  Ni  Ni23  1  0.15584300  0.15340300  0.03162800  1.0
  S  S24  1  0.68188900  0.68283900  0.93657000  1.0
  S  S25  1  0.55808700  0.55788400  0.81940000  1.0
  S  S26  1  0.20059800  0.67619900  0.93532800  1.0
  S  S27  1  0.67576200  0.20091300  0.93543500  1.0
  S  S28  1  0.43019600  0.42539200  0.68577700  1.0
  S  S29  1  0.07906400  0.53651500  0.81339200  1.0
  S  S30  1  0.53793000  0.07839200  0.81344800  1.0
  S  S31  1  0.31167200  0.30725500  0.56835900  1.0
  S  S32  1  0.19186800  0.19105000  0.93084800  1.0
  S  S33  1  0.95842700  0.42667000  0.68560200  1.0
  S  S34  1  0.43165100  0.95321500  0.68536200  1.0
  S  S35  1  0.07465100  0.07428300  0.81274200  1.0
  S  S36  1  0.17541100  0.17581600  0.43673000  1.0
  S  S37  1  0.81992600  0.29411900  0.56472800  1.0
  S  S38  1  0.29005300  0.82488500  0.56436100  1.0
  S  S39  1  0.93812000  0.94303800  0.68162000  1.0
  S  S40  1  0.05783300  0.05780400  0.31894100  1.0
  S  S41  1  0.71042600  0.17348500  0.43604600  1.0
  S  S42  1  0.17268400  0.71174000  0.43622900  1.0
  S  S43  1  0.81967400  0.82535800  0.56410300  1.0
  S  S44  1  0.92880200  0.92686600  0.18580300  1.0
  S  S45  1  0.57616600  0.03968500  0.31384400  1.0
  S  S46  1  0.04058600  0.57554000  0.31399400  1.0
  S  S47  1  0.45984000  0.92704200  0.18557800  1.0
  S  S48  1  0.69214000  0.69194200  0.43108900  1.0
  S  S49  1  0.81302100  0.80714300  0.06610000  1.0
  S  S50  1  0.93090700  0.45360700  0.18625500  1.0
  S  S51  1  0.57448500  0.57403600  0.31329500  1.0
  S  S52  1  0.32161900  0.78991700  0.06628200  1.0
  S  S53  1  0.79124500  0.32594800  0.06567600  1.0
  S  S54  1  0.43655300  0.44694900  0.18136600  1.0
  S  S55  1  0.31717400  0.32671700  0.06524500  1.0