# generated using pymatgen
data_BaVS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83732578
_cell_length_b   8.79610863
_cell_length_c   8.81395441
_cell_angle_alpha   79.63771987
_cell_angle_beta   67.17801594
_cell_angle_gamma   67.12908783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVS3
_chemical_formula_sum   'Ba4 V4 S12'
_cell_volume   449.91308247
_cell_formula_units_Z   4
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  0.33603100  0.53958300  0.78835400  1.0
  Ba  Ba1  1  0.66303200  0.95887700  0.71506000  1.0
  Ba  Ba2  1  0.33308300  0.03766400  0.29616900  1.0
  Ba  Ba3  1  0.65722900  0.46729100  0.21825000  1.0
  V  V4  1  0.97359300  0.78461900  0.26819600  1.0
  V  V5  1  0.02232100  0.48281200  0.47254700  1.0
  V  V6  1  0.97323500  0.27509400  0.77843700  1.0
  V  V7  1  0.01893300  0.98377900  0.97835500  1.0
  S  S8  1  0.82803700  0.05554900  0.28837700  1.0
  S  S9  1  0.16697200  0.46159100  0.20446400  1.0
  S  S10  1  0.82601600  0.54605000  0.80191800  1.0
  S  S11  1  0.16595900  0.96131600  0.70676600  1.0
  S  S12  1  0.31869300  0.79072300  0.05251600  1.0
  S  S13  1  0.83806700  0.79072300  0.05251600  1.0
  S  S14  1  0.67741400  0.70486000  0.46439400  1.0
  S  S15  1  0.15333200  0.70486000  0.46439400  1.0
  S  S16  1  0.31676200  0.29126700  0.55228000  1.0
  S  S17  1  0.83969100  0.29126700  0.55228000  1.0
  S  S18  1  0.67380100  0.20148700  0.96251300  1.0
  S  S19  1  0.16219900  0.20148700  0.96251300  1.0