# generated using pymatgen
data_Ba2TiVS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81155863
_cell_length_b   6.81155863
_cell_length_c   5.66442800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiVS6
_chemical_formula_sum   'Ba2 Ti1 V1 S6'
_cell_volume   227.60388167
_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  0.33333300  0.66666700  0.75209500  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.24790500  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.50000000  1.0
  V  V3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.16500000  0.83500000  0.24282900  1.0
  S  S5  1  0.16500000  0.33000000  0.24282900  1.0
  S  S6  1  0.67000000  0.83500000  0.24282900  1.0
  S  S7  1  0.83500000  0.16500000  0.75717100  1.0
  S  S8  1  0.83500000  0.67000000  0.75717100  1.0
  S  S9  1  0.33000000  0.16500000  0.75717100  1.0