# generated using pymatgen
data_MgFe4(S3O23)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70456179
_cell_length_b   17.96342639
_cell_length_c   7.64266835
_cell_angle_alpha   89.81422010
_cell_angle_beta   102.07020019
_cell_angle_gamma   101.27656741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe4(S3O23)2
_chemical_formula_sum   'Mg1 Fe4 S6 O46'
_cell_volume   1013.61263141
_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
  Mg  Mg0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Fe  Fe1  1  0.26714691  0.69303915  0.54376149  1.0
  Fe  Fe2  1  0.73285309  0.30696085  0.45623851  1.0
  Fe  Fe3  1  0.32670333  0.30646096  0.04524016  1.0
  Fe  Fe4  1  0.67329667  0.69353904  0.95475984  1.0
  S  S5  1  0.05349823  0.25213228  0.68283408  1.0
  S  S6  1  0.94650177  0.74786772  0.31716592  1.0
  S  S7  1  0.27268369  0.57068387  0.84071016  1.0
  S  S8  1  0.72731631  0.42931613  0.15928984  1.0
  S  S9  1  0.44543930  0.81862738  0.86039832  1.0
  S  S10  1  0.55456070  0.18137262  0.13960168  1.0
  O  O11  1  0.22725454  0.29944942  0.79719201  1.0
  O  O12  1  0.77274546  0.70055058  0.20280799  1.0
  O  O13  1  0.08706084  0.23649695  0.50721193  1.0
  O  O14  1  0.91293916  0.76350305  0.49278807  1.0
  O  O15  1  0.07901321  0.69305427  0.33546519  1.0
  O  O16  1  0.92098679  0.30694573  0.66453481  1.0
  O  O17  1  0.01218607  0.81442781  0.22294578  1.0
  O  O18  1  0.98781393  0.18557219  0.77705422  1.0
  O  O19  1  0.43933239  0.63182724  0.91830906  1.0
  O  O20  1  0.56066761  0.36817276  0.08169094  1.0
  O  O21  1  0.32621984  0.50199441  0.78914944  1.0
  O  O22  1  0.67378016  0.49800559  0.21085056  1.0
  O  O23  1  0.17640271  0.60506644  0.67246408  1.0
  O  O24  1  0.82359729  0.39493356  0.32753592  1.0
  O  O25  1  0.15490809  0.55986656  0.96756957  1.0
  O  O26  1  0.84509191  0.44013344  0.03243043  1.0
  O  O27  1  0.48961834  0.90044094  0.84685875  1.0
  O  O28  1  0.51038166  0.09955906  0.15314125  1.0
  O  O29  1  0.37787479  0.21139566  0.13343999  1.0
  O  O30  1  0.62212521  0.78860434  0.86656001  1.0
  O  O31  1  0.36409878  0.79154113  0.00875772  1.0
  O  O32  1  0.63590122  0.20845887  0.99124228  1.0
  O  O33  1  0.32260189  0.78457202  0.68231773  1.0
  O  O34  1  0.67739811  0.21542798  0.31768227  1.0
  O  O35  1  0.48331833  0.33628225  0.44305393  1.0
  O  O36  1  0.51668167  0.66371775  0.55694607  1.0
  O  O37  1  0.47911848  0.70331654  0.41454696  1.0
  O  O38  1  0.52088152  0.29668346  0.58545304  1.0
  O  O39  1  0.23338840  0.53115462  0.35615097  1.0
  O  O40  1  0.76661160  0.46884538  0.64384903  1.0
  O  O41  1  0.20096846  0.03785940  0.86409437  1.0
  O  O42  1  0.79903154  0.96214060  0.13590563  1.0
  O  O43  1  0.18101788  0.37612811  0.13296001  1.0
  O  O44  1  0.81898212  0.62387189  0.86703999  1.0
  O  O45  1  0.23823563  0.01308996  0.29605162  1.0
  O  O46  1  0.76176437  0.98691004  0.70394838  1.0
  O  O47  1  0.11296954  0.30719447  0.17082814  1.0
  O  O48  1  0.88703046  0.69280553  0.82917186  1.0
  O  O49  1  0.07706234  0.91867560  0.86404077  1.0
  O  O50  1  0.92293766  0.08132440  0.13595923  1.0
  O  O51  1  0.28273102  0.06023844  0.43681927  1.0
  O  O52  1  0.71726898  0.93976156  0.56318073  1.0
  O  O53  1  0.28854378  0.47921157  0.43713990  1.0
  O  O54  1  0.71145622  0.52078843  0.56286010  1.0
  O  O55  1  0.55405999  0.92850511  0.47906633  1.0
  O  O56  1  0.44594001  0.07149489  0.52093367  1.0