# generated using pymatgen
data_Ba(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63183972
_cell_length_b   6.72513574
_cell_length_c   6.77800372
_cell_angle_alpha   89.06562856
_cell_angle_beta   89.22169835
_cell_angle_gamma   87.93802096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Mo3S4)2
_chemical_formula_sum   'Ba1 Mo6 S8'
_cell_volume   302.03765233
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.56741283  0.41685028  0.23638282  1.0
  Mo  Mo2  1  0.43258717  0.58314972  0.76361718  1.0
  Mo  Mo3  1  0.41739905  0.23662248  0.56393554  1.0
  Mo  Mo4  1  0.58260095  0.76337752  0.43606446  1.0
  Mo  Mo5  1  0.24485212  0.56399483  0.41955771  1.0
  Mo  Mo6  1  0.75514788  0.43600517  0.58044229  1.0
  S  S7  1  0.26161855  0.24651774  0.25311476  1.0
  S  S8  1  0.73838145  0.75348226  0.74688524  1.0
  S  S9  1  0.39429405  0.72945536  0.12462292  1.0
  S  S10  1  0.60570595  0.27054464  0.87537708  1.0
  S  S11  1  0.73218299  0.12199157  0.38719408  1.0
  S  S12  1  0.26781701  0.87800843  0.61280592  1.0
  S  S13  1  0.12423066  0.39268747  0.73256792  1.0
  S  S14  1  0.87576934  0.60731253  0.26743208  1.0