# generated using pymatgen
data_Lu2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75417560
_cell_length_b   7.59526180
_cell_length_c   30.24943528
_cell_angle_alpha   59.75131939
_cell_angle_beta   60.26504511
_cell_angle_gamma   60.58062560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2FeS4
_chemical_formula_sum   'Lu16 Fe8 S32'
_cell_volume   1265.28167741
_cell_formula_units_Z   8
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
  Lu  Lu0  1  0.49284181  0.49650157  0.00353515  1.0
  Lu  Lu1  1  0.50062052  0.50591765  0.11967827  1.0
  Lu  Lu2  1  0.44863044  0.01810575  0.25380622  1.0
  Lu  Lu3  1  0.50074917  0.01433900  0.11982073  1.0
  Lu  Lu4  1  0.50584975  0.49094866  0.25311121  1.0
  Lu  Lu5  1  0.50388778  0.48993977  0.37703505  1.0
  Lu  Lu6  1  0.01637536  0.50003777  0.12091630  1.0
  Lu  Lu7  1  0.49723629  0.98731880  0.50332245  1.0
  Lu  Lu8  1  0.00500940  0.50257899  0.62280739  1.0
  Lu  Lu9  1  0.50398212  0.99748003  0.37685170  1.0
  Lu  Lu10  1  0.50425278  0.00984941  0.74702555  1.0
  Lu  Lu11  1  0.99366510  0.49462371  0.37888636  1.0
  Lu  Lu12  1  0.00631593  0.49816009  0.87471277  1.0
  Lu  Lu13  1  0.50148358  0.00533893  0.62342585  1.0
  Lu  Lu14  1  0.49473315  0.49450430  0.87623641  1.0
  Lu  Lu15  1  0.49495741  0.00564496  0.87636734  1.0
  Fe  Fe16  1  0.05825100  0.12705103  0.54459821  1.0
  Fe  Fe17  1  0.91698597  0.86408905  0.21358718  1.0
  Fe  Fe18  1  0.07039684  0.14223727  0.78601953  1.0
  Fe  Fe19  1  0.50055369  0.49955750  0.62403076  1.0
  Fe  Fe20  1  0.93600410  0.86312767  0.45957451  1.0
  Fe  Fe21  1  0.50296974  0.49791325  0.74754623  1.0
  Fe  Fe22  1  0.94069772  0.86485575  0.70986488  1.0
  Fe  Fe23  1  0.88133885  0.87360575  0.96778694  1.0
  S  S24  1  0.25061773  0.25560590  0.06414482  1.0
  S  S25  1  0.25107061  0.25237832  0.18606048  1.0
  S  S26  1  0.25020588  0.73788001  0.06404448  1.0
  S  S27  1  0.73244594  0.25788483  0.06286440  1.0
  S  S28  1  0.27484991  0.73822663  0.18709962  1.0
  S  S29  1  0.25136758  0.25305346  0.31601397  1.0
  S  S30  1  0.24228253  0.24305727  0.44246940  1.0
  S  S31  1  0.73609946  0.23982163  0.19068519  1.0
  S  S32  1  0.25112717  0.73141786  0.31609995  1.0
  S  S33  1  0.75588761  0.74561542  0.06317850  1.0
  S  S34  1  0.72550513  0.25358076  0.31668369  1.0
  S  S35  1  0.73636032  0.76106116  0.19073240  1.0
  S  S36  1  0.27948183  0.73764917  0.43614635  1.0
  S  S37  1  0.24097140  0.23644047  0.56480716  1.0
  S  S38  1  0.75627013  0.23225557  0.43849974  1.0
  S  S39  1  0.24843015  0.25356848  0.68746956  1.0
  S  S40  1  0.23996942  0.75842353  0.56697743  1.0
  S  S41  1  0.74381842  0.75248765  0.31262848  1.0
  S  S42  1  0.75862418  0.75630312  0.43779504  1.0
  S  S43  1  0.70866927  0.27908768  0.57019648  1.0
  S  S44  1  0.30258712  0.70888097  0.68629572  1.0
  S  S45  1  0.25157764  0.25302028  0.80906978  1.0
  S  S46  1  0.74949918  0.25375734  0.68745212  1.0
  S  S47  1  0.25338697  0.26179542  0.93077300  1.0
  S  S48  1  0.25435575  0.75968867  0.80809854  1.0
  S  S49  1  0.75253955  0.74963342  0.56131824  1.0
  S  S50  1  0.74903265  0.74812278  0.68813966  1.0
  S  S51  1  0.71416081  0.27843661  0.80719441  1.0
  S  S52  1  0.25534845  0.75140924  0.93544870  1.0
  S  S53  1  0.75298522  0.25755442  0.93453282  1.0
  S  S54  1  0.74987630  0.75663019  0.80939294  1.0
  S  S55  1  0.75280716  0.75154507  0.93463994  1.0