# generated using pymatgen
data_Ti4VB2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92169673
_cell_length_b   5.92169732
_cell_length_c   7.00043622
_cell_angle_alpha   115.02110432
_cell_angle_beta   115.02111874
_cell_angle_gamma   89.99998550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4VB2S
_chemical_formula_sum   'Ti8 V2 B4 S2'
_cell_volume   196.72538274
_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
  Ti  Ti0  1  0.03919969  0.53919969  0.73002293  1.0
  Ti  Ti1  1  0.69082323  0.19082323  0.73002293  1.0
  Ti  Ti2  1  0.19082323  0.03919969  0.73002293  1.0
  Ti  Ti3  1  0.53919969  0.69082323  0.73002293  1.0
  Ti  Ti4  1  0.96080031  0.46080031  0.26997707  1.0
  Ti  Ti5  1  0.30917677  0.80917677  0.26997707  1.0
  Ti  Ti6  1  0.80917677  0.96080031  0.26997707  1.0
  Ti  Ti7  1  0.46080031  0.30917677  0.26997707  1.0
  V  V8  1  0.50000000  0.50000000  0.00000000  1.0
  V  V9  1  0.00000000  0.00000000  0.00000000  1.0
  B  B10  1  0.61283851  0.11283851  0.00000000  1.0
  B  B11  1  0.38716149  0.88716149  1.00000000  1.0
  B  B12  1  0.88716149  0.61283851  1.00000000  1.0
  B  B13  1  0.11283851  0.38716149  0.00000000  1.0
  S  S14  1  0.25000000  0.25000000  0.50000000  1.0
  S  S15  1  0.75000000  0.75000000  0.50000000  1.0