# generated using pymatgen
data_Sr3Nd(ScSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94317823
_cell_length_b   12.19587087
_cell_length_c   14.32423533
_cell_angle_alpha   89.82906884
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Nd(ScSe2)8
_chemical_formula_sum   'Sr3 Nd1 Sc8 Se16'
_cell_volume   688.85646580
_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
  Sr  Sr0  1  0.25000000  0.23817669  0.33099201  1.0
  Sr  Sr1  1  0.75000000  0.26011029  0.83204872  1.0
  Sr  Sr2  1  0.25000000  0.73882976  0.16946815  1.0
  Nd  Nd3  1  0.75000000  0.76197861  0.66996579  1.0
  Sc  Sc4  1  0.25000000  0.08151625  0.59682945  1.0
  Sc  Sc5  1  0.25000000  0.05755736  0.11008455  1.0
  Sc  Sc6  1  0.75000000  0.41887745  0.09660097  1.0
  Sc  Sc7  1  0.75000000  0.94036544  0.88937538  1.0
  Sc  Sc8  1  0.75000000  0.44328104  0.61120119  1.0
  Sc  Sc9  1  0.25000000  0.55837903  0.39000490  1.0
  Sc  Sc10  1  0.75000000  0.91567944  0.40429599  1.0
  Sc  Sc11  1  0.25000000  0.58276621  0.90359730  1.0
  Se  Se12  1  0.25000000  0.87217426  0.53332943  1.0
  Se  Se13  1  0.25000000  0.79584459  0.83186731  1.0
  Se  Se14  1  0.25000000  0.97031268  0.28563335  1.0
  Se  Se15  1  0.75000000  0.41124509  0.42784695  1.0
  Se  Se16  1  0.25000000  0.47174350  0.21565449  1.0
  Se  Se17  1  0.25000000  0.08814780  0.92433807  1.0
  Se  Se18  1  0.75000000  0.20344412  0.15933048  1.0
  Se  Se19  1  0.75000000  0.02155079  0.71373375  1.0
  Se  Se20  1  0.25000000  0.59580095  0.57659078  1.0
  Se  Se21  1  0.75000000  0.70290645  0.34099564  1.0
  Se  Se22  1  0.25000000  0.29717728  0.66091935  1.0
  Se  Se23  1  0.25000000  0.37717271  0.96939024  1.0
  Se  Se24  1  0.75000000  0.62591107  0.02767296  1.0
  Se  Se25  1  0.75000000  0.53725812  0.78207626  1.0
  Se  Se26  1  0.75000000  0.12228909  0.47206612  1.0
  Se  Se27  1  0.75000000  0.90950093  0.07409240  1.0