# generated using pymatgen
data_Ta3VS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76916690
_cell_length_b   5.76916690
_cell_length_c   12.26901923
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3VS6
_chemical_formula_sum   'Ta6 V2 S12'
_cell_volume   353.64429856
_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
  Ta  Ta0  1  -0.00000000  0.00000000  0.49998441  1.0
  Ta  Ta1  1  -0.00000000  0.00000000  0.00001559  1.0
  Ta  Ta2  1  0.33333300  0.66666700  0.99808596  1.0
  Ta  Ta3  1  0.66666700  0.33333300  0.00193772  1.0
  Ta  Ta4  1  0.66666700  0.33333300  0.49806228  1.0
  Ta  Ta5  1  0.33333300  0.66666700  0.50191404  1.0
  V  V6  1  0.33333300  0.66666700  0.25000000  1.0
  V  V7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33159222  0.33317936  0.37248362  1.0
  S  S9  1  0.66682064  0.99841287  0.37248362  1.0
  S  S10  1  0.00158713  0.66840778  0.37248362  1.0
  S  S11  1  0.33317765  0.33158940  0.62749274  1.0
  S  S12  1  0.99841175  0.66682235  0.62749274  1.0
  S  S13  1  0.66841060  0.00158825  0.62749274  1.0
  S  S14  1  0.66841060  0.66682235  0.87250726  1.0
  S  S15  1  0.33317765  0.00158825  0.87250726  1.0
  S  S16  1  0.99841175  0.33158940  0.87250726  1.0
  S  S17  1  0.66682064  0.66840778  0.12751638  1.0
  S  S18  1  0.00158713  0.33317936  0.12751638  1.0
  S  S19  1  0.33159222  0.99841287  0.12751638  1.0