# generated using pymatgen
data_Nb6VTcS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82112536
_cell_length_b   5.82112555
_cell_length_c   12.11055882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6VTcS12
_chemical_formula_sum   'Nb6 V1 Tc1 S12'
_cell_volume   355.39285174
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.50547504  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.00084525  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.49915475  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.99452496  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.50327525  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.99672475  1.0
  V  V6  1  0.33333300  0.66666700  0.25000000  1.0
  Tc  Tc7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.66581001  0.66937013  0.37246876  1.0
  S  S9  1  0.33062987  0.99644088  0.37246876  1.0
  S  S10  1  0.00355912  0.33418999  0.37246876  1.0
  S  S11  1  0.99471448  0.66308742  0.86866011  1.0
  S  S12  1  0.33691258  0.00528552  0.63133989  1.0
  S  S13  1  0.33691258  0.33162506  0.86866011  1.0
  S  S14  1  0.66837494  0.00528552  0.86866011  1.0
  S  S15  1  0.33062987  0.33418999  0.12753124  1.0
  S  S16  1  0.66581001  0.99644088  0.12753124  1.0
  S  S17  1  0.66837494  0.66308742  0.63133989  1.0
  S  S18  1  0.99471448  0.33162506  0.63133989  1.0
  S  S19  1  0.00355912  0.66937013  0.12753124  1.0