# generated using pymatgen
data_NaAl3Fe6(SO19)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.89547638
_cell_length_b   12.91227431
_cell_length_c   12.97352371
_cell_angle_alpha   39.19740436
_cell_angle_beta   39.66653023
_cell_angle_gamma   39.92606083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl3Fe6(SO19)2
_chemical_formula_sum   'Na1 Al3 Fe6 S2 O38'
_cell_volume   789.98352959
_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
  Na  Na0  1  0.00094800  0.99246600  0.00539300  1.0
  Al  Al1  1  0.83371400  0.83255200  0.83293100  1.0
  Al  Al2  1  0.16530500  0.16896400  0.16774300  1.0
  Al  Al3  1  0.50181800  0.49860800  0.49889200  1.0
  Fe  Fe4  1  0.49823000  0.16611700  0.83254700  1.0
  Fe  Fe5  1  0.16831300  0.83515800  0.49975000  1.0
  Fe  Fe6  1  0.83290700  0.50189000  0.16570200  1.0
  Fe  Fe7  1  0.50016600  0.83130800  0.16667600  1.0
  Fe  Fe8  1  0.83412300  0.16224100  0.50258400  1.0
  Fe  Fe9  1  0.16901300  0.49886200  0.83531500  1.0
  S  S10  1  0.30596900  0.29941900  0.29922700  1.0
  S  S11  1  0.70047100  0.69635200  0.69902500  1.0
  O  O12  1  0.64875000  0.66435300  0.65686300  1.0
  O  O13  1  0.34227000  0.34014300  0.34825000  1.0
  O  O14  1  0.40449100  0.10458400  0.35245500  1.0
  O  O15  1  0.10839400  0.36002400  0.40384500  1.0
  O  O16  1  0.36210400  0.40164700  0.10242000  1.0
  O  O17  1  0.59628800  0.89520200  0.63818000  1.0
  O  O18  1  0.89559200  0.64128800  0.59837500  1.0
  O  O19  1  0.64826300  0.59450900  0.89468200  1.0
  O  O20  1  0.29714200  0.97594600  0.30816800  1.0
  O  O21  1  0.96953300  0.30557100  0.30536700  1.0
  O  O22  1  0.29501300  0.31257500  0.97522900  1.0
  O  O23  1  0.70678600  0.02066600  0.68869500  1.0
  O  O24  1  0.03220900  0.69496600  0.69648000  1.0
  O  O25  1  0.70516200  0.68654500  0.02569300  1.0
  O  O26  1  0.96222700  0.97864100  0.64247400  1.0
  O  O27  1  0.96457800  0.64342700  0.97515100  1.0
  O  O28  1  0.63786800  0.96840500  0.97106400  1.0
  O  O29  1  0.02503200  0.03288800  0.36183000  1.0
  O  O30  1  0.02512100  0.36205000  0.03311800  1.0
  O  O31  1  0.35454200  0.03553700  0.02879600  1.0
  O  O32  1  0.64081800  0.30229100  0.63557600  1.0
  O  O33  1  0.31244600  0.63386600  0.63554100  1.0
  O  O34  1  0.64459000  0.63093200  0.30548100  1.0
  O  O35  1  0.37132700  0.69064400  0.35722100  1.0
  O  O36  1  0.69610300  0.35996500  0.36306400  1.0
  O  O37  1  0.36560700  0.36051000  0.69228300  1.0
  O  O38  1  0.74559900  0.31426700  0.77567600  1.0
  O  O39  1  0.30820000  0.77759500  0.74493400  1.0
  O  O40  1  0.77466900  0.74495800  0.30687700  1.0
  O  O41  1  0.25493600  0.69232700  0.22260200  1.0
  O  O42  1  0.68104100  0.23442600  0.24859000  1.0
  O  O43  1  0.21593000  0.25685600  0.69415700  1.0
  O  O44  1  0.89230800  0.18840500  0.77622300  1.0
  O  O45  1  0.18968900  0.76670900  0.89710300  1.0
  O  O46  1  0.77375400  0.89509400  0.18185400  1.0
  O  O47  1  0.10364300  0.81095200  0.23160200  1.0
  O  O48  1  0.81022200  0.23422200  0.10286700  1.0
  O  O49  1  0.22668100  0.10307700  0.81543100  1.0