# generated using pymatgen
data_Na2Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92589942
_cell_length_b   9.87591033
_cell_length_c   9.86701280
_cell_angle_alpha   60.36516422
_cell_angle_beta   59.86181461
_cell_angle_gamma   59.77302117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Fe2C4SO16
_chemical_formula_sum   'Na4 Fe4 C8 S2 O32'
_cell_volume   683.89688579
_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  0.96083200  0.53916800  0.96083200  1.0
  Na  Na1  1  0.53916700  0.96083300  0.53916700  1.0
  Na  Na2  1  0.71083200  0.28916700  0.71083300  1.0
  Na  Na3  1  0.28916700  0.71083200  0.28916800  1.0
  Fe  Fe4  1  0.12500000  0.62500000  0.12500000  1.0
  Fe  Fe5  1  0.62500000  0.12500000  0.12500000  1.0
  Fe  Fe6  1  0.12500000  0.12500000  0.62500000  1.0
  Fe  Fe7  1  0.12500000  0.12500000  0.12500000  1.0
  C  C8  1  0.33635700  0.33414400  0.98770400  1.0
  C  C9  1  0.33414400  0.33635700  0.34179500  1.0
  C  C10  1  0.34179500  0.98770400  0.33414400  1.0
  C  C11  1  0.98770400  0.34179500  0.33635700  1.0
  C  C12  1  0.26229600  0.90820500  0.91364300  1.0
  C  C13  1  0.90820500  0.26229600  0.91585600  1.0
  C  C14  1  0.91585600  0.91364300  0.90820500  1.0
  C  C15  1  0.91364300  0.91585600  0.26229600  1.0
  S  S16  1  0.75000000  0.75000000  0.75000000  1.0
  S  S17  1  0.50000000  0.50000000  0.50000000  1.0
  O  O18  1  0.21870100  0.47565800  0.99123600  1.0
  O  O19  1  0.30929900  0.21817600  0.98996200  1.0
  O  O20  1  0.47565800  0.21870100  0.31440500  1.0
  O  O21  1  0.21817600  0.30929900  0.48256200  1.0
  O  O22  1  0.93991100  0.76856400  0.01899700  1.0
  O  O23  1  0.48256200  0.98996200  0.21817600  1.0
  O  O24  1  0.76856400  0.93991100  0.27252800  1.0
  O  O25  1  0.23100300  0.97747200  0.31008900  1.0
  O  O26  1  0.31440500  0.99123600  0.47565800  1.0
  O  O27  1  0.68915800  0.93424600  0.68947700  1.0
  O  O28  1  0.27252800  0.01899700  0.76856400  1.0
  O  O29  1  0.56288100  0.56052300  0.31575400  1.0
  O  O30  1  0.98996200  0.48256200  0.30929900  1.0
  O  O31  1  0.99123600  0.31440500  0.21870100  1.0
  O  O32  1  0.93424600  0.68915800  0.68711900  1.0
  O  O33  1  0.68947700  0.68711900  0.68915800  1.0
  O  O34  1  0.56052300  0.56288100  0.56084200  1.0
  O  O35  1  0.31575400  0.56084200  0.56288100  1.0
  O  O36  1  0.25876400  0.93559500  0.03129900  1.0
  O  O37  1  0.26003800  0.76743800  0.94070100  1.0
  O  O38  1  0.68711900  0.68947700  0.93424600  1.0
  O  O39  1  0.97747200  0.23100300  0.48143600  1.0
  O  O40  1  0.56084200  0.31575400  0.56052300  1.0
  O  O41  1  0.93559500  0.25876400  0.77434200  1.0
  O  O42  1  0.01899700  0.27252800  0.93991100  1.0
  O  O43  1  0.48143600  0.31008900  0.97747200  1.0
  O  O44  1  0.76743800  0.26003800  0.03182400  1.0
  O  O45  1  0.31008900  0.48143600  0.23100300  1.0
  O  O46  1  0.03182400  0.94070100  0.76743800  1.0
  O  O47  1  0.77434200  0.03129900  0.93559500  1.0
  O  O48  1  0.94070100  0.03182400  0.26003800  1.0
  O  O49  1  0.03129900  0.77434200  0.25876400  1.0