# generated using pymatgen
data_Ba3ScUSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77071280
_cell_length_b   8.77071183
_cell_length_c   8.77071228
_cell_angle_alpha   92.65141061
_cell_angle_beta   92.65140952
_cell_angle_gamma   92.65140567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3ScUSe6
_chemical_formula_sum   'Ba6 Sc2 U2 Se12'
_cell_volume   672.45432957
_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
  Ba  Ba0  1  0.37100363  0.75000000  0.12899637  1.0
  Ba  Ba1  1  0.12899637  0.37100363  0.75000000  1.0
  Ba  Ba2  1  0.75000000  0.12899637  0.37100363  1.0
  Ba  Ba3  1  0.62899637  0.25000000  0.87100363  1.0
  Ba  Ba4  1  0.87100363  0.62899637  0.25000000  1.0
  Ba  Ba5  1  0.25000000  0.87100363  0.62899637  1.0
  Sc  Sc6  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc7  1  0.00000000  0.00000000  0.00000000  1.0
  U  U8  1  0.25000000  0.25000000  0.25000000  1.0
  U  U9  1  0.75000000  0.75000000  0.75000000  1.0
  Se  Se10  1  0.54315366  0.41006004  0.20305995  1.0
  Se  Se11  1  0.20305995  0.54315366  0.41006004  1.0
  Se  Se12  1  0.41006004  0.20305995  0.54315366  1.0
  Se  Se13  1  0.95684634  0.29694005  0.08993996  1.0
  Se  Se14  1  0.08993996  0.95684634  0.29694005  1.0
  Se  Se15  1  0.29694005  0.08993996  0.95684634  1.0
  Se  Se16  1  0.45684634  0.58993996  0.79694005  1.0
  Se  Se17  1  0.79694005  0.45684634  0.58993996  1.0
  Se  Se18  1  0.58993996  0.79694005  0.45684634  1.0
  Se  Se19  1  0.04315366  0.70305995  0.91006004  1.0
  Se  Se20  1  0.70305995  0.91006004  0.04315366  1.0
  Se  Se21  1  0.91006004  0.04315366  0.70305995  1.0