# generated using pymatgen
data_Ba2US6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47102618
_cell_length_b   5.47102618
_cell_length_c   15.95309087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2US6
_chemical_formula_sum   'Ba4 U2 S12'
_cell_volume   477.50994934
_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  -0.00000000  -0.00000000  0.13433516  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.63433516  1.0
  Ba  Ba2  1  0.50000000  0.50000000  0.36566484  1.0
  Ba  Ba3  1  -0.00000000  -0.00000000  0.86566484  1.0
  U  U4  1  -0.00000000  -0.00000000  0.50000000  1.0
  U  U5  1  0.50000000  0.50000000  -0.00000000  1.0
  S  S6  1  0.31100124  0.50000000  0.16532412  1.0
  S  S7  1  0.68899876  0.50000000  0.16532412  1.0
  S  S8  1  -0.00000000  0.81100124  0.66532412  1.0
  S  S9  1  -0.00000000  0.18899876  0.66532412  1.0
  S  S10  1  0.18899876  -0.00000000  0.33467588  1.0
  S  S11  1  0.81100124  -0.00000000  0.33467588  1.0
  S  S12  1  0.50000000  0.68899876  0.83467588  1.0
  S  S13  1  0.50000000  0.31100124  0.83467588  1.0
  S  S14  1  -0.00000000  0.50000000  0.97815745  1.0
  S  S15  1  -0.00000000  0.50000000  0.47815745  1.0
  S  S16  1  0.50000000  -0.00000000  0.52184255  1.0
  S  S17  1  0.50000000  -0.00000000  0.02184255  1.0