# generated using pymatgen
data_Na2Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86329596
_cell_length_b   9.85680097
_cell_length_c   9.85883349
_cell_angle_alpha   60.02284884
_cell_angle_beta   89.81385583
_cell_angle_gamma   119.57040108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Fe2C4SO16
_chemical_formula_sum   'Na4 Fe4 C8 S2 O32'
_cell_volume   681.26208895
_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
  Na  Na0  1  0.91291100  0.25043700  0.33946600  1.0
  Na  Na1  1  0.90732800  0.23738900  0.91342500  1.0
  Na  Na2  1  0.34062100  0.24859400  0.91259200  1.0
  Na  Na3  1  0.09190100  0.76313000  0.65168200  1.0
  Fe  Fe4  1  0.49661700  0.99334900  0.00025700  1.0
  Fe  Fe5  1  0.50015100  0.99997400  0.50175200  1.0
  Fe  Fe6  1  0.50266400  0.50182600  0.49683500  1.0
  Fe  Fe7  1  0.00011000  0.50361900  0.49608100  1.0
  C  C8  1  0.71326800  0.07690000  0.71052400  1.0
  C  C9  1  0.71383800  0.42556700  0.36096900  1.0
  C  C10  1  0.36016100  0.07397400  0.71438300  1.0
  C  C11  1  0.71197600  0.42531000  0.71431300  1.0
  C  C12  1  0.28608100  0.57048400  0.28881800  1.0
  C  C13  1  0.64128900  0.92877500  0.28487200  1.0
  C  C14  1  0.28918500  0.92720800  0.28746200  1.0
  C  C15  1  0.28426200  0.57224200  0.64043000  1.0
  S  S16  1  0.12384900  0.25018600  0.12294700  1.0
  S  S17  1  0.87434000  0.75103900  0.87481200  1.0
  O  O18  1  0.64812700  0.04588400  0.13825300  1.0
  O  O19  1  0.85676600  0.21990300  0.59570500  1.0
  O  O20  1  0.68830900  0.28402100  0.35982400  1.0
  O  O21  1  0.40156500  0.03835600  0.31789700  1.0
  O  O22  1  0.85580100  0.54107600  0.35932000  1.0
  O  O23  1  0.30767600  0.37141300  0.06917800  1.0
  O  O24  1  0.06973300  0.13335500  0.05609600  1.0
  O  O25  1  0.59899500  0.45218100  0.36091000  1.0
  O  O26  1  0.68764000  0.04833200  0.85420800  1.0
  O  O27  1  0.35224200  0.03894400  0.60273900  1.0
  O  O28  1  0.86040900  0.46165100  0.68945100  1.0
  O  O29  1  0.05526300  0.36592500  0.06741400  1.0
  O  O30  1  0.07002200  0.12881200  0.30787500  1.0
  O  O31  1  0.63277800  0.78140100  0.31591500  1.0
  O  O32  1  0.40052500  0.71553600  0.14896200  1.0
  O  O33  1  0.68360800  0.53750600  0.59895800  1.0
  O  O34  1  0.31480100  0.45808900  0.40281300  1.0
  O  O35  1  0.36321300  0.21882800  0.68529900  1.0
  O  O36  1  0.59766900  0.28035200  0.85634800  1.0
  O  O37  1  0.93357500  0.87395800  0.68991800  1.0
  O  O38  1  0.93548000  0.62606500  0.93708300  1.0
  O  O39  1  0.13926700  0.53419200  0.31512300  1.0
  O  O40  1  0.64925900  0.96524400  0.39476500  1.0
  O  O41  1  0.31683700  0.96211200  0.14132000  1.0
  O  O42  1  0.39486900  0.53726900  0.64497100  1.0
  O  O43  1  0.93721800  0.87466000  0.93545600  1.0
  O  O44  1  0.68979700  0.62471200  0.93536200  1.0
  O  O45  1  0.13754100  0.45566900  0.64743200  1.0
  O  O46  1  0.60037000  0.96431600  0.68182100  1.0
  O  O47  1  0.31416100  0.71818800  0.63562500  1.0
  O  O48  1  0.14663700  0.78302900  0.40183000  1.0
  O  O49  1  0.35929000  0.95901200  0.85695900  1.0