# generated using pymatgen
data_Nb6TcNiS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80756209
_cell_length_b   5.80756328
_cell_length_c   12.03469627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6TcNiS12
_chemical_formula_sum   'Nb6 Tc1 Ni1 S12'
_cell_volume   351.52290834
_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  0.00000000  0.00000000  0.00160345  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.49839655  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.50294935  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.00437904  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.49562096  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.99705065  1.0
  Tc  Tc6  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33231826  0.99525667  0.13097614  1.0
  S  S9  1  0.00474333  0.33706059  0.13097614  1.0
  S  S10  1  0.66958708  0.00372384  0.63026112  1.0
  S  S11  1  0.99627616  0.33041292  0.86973888  1.0
  S  S12  1  0.66293941  0.66768174  0.13097614  1.0
  S  S13  1  0.99627616  0.66586424  0.63026112  1.0
  S  S14  1  0.33413576  0.00372384  0.86973888  1.0
  S  S15  1  0.00474333  0.66768174  0.36902386  1.0
  S  S16  1  0.33413576  0.33041292  0.63026112  1.0
  S  S17  1  0.66293941  0.99525667  0.36902386  1.0
  S  S18  1  0.66958708  0.66586424  0.86973888  1.0
  S  S19  1  0.33231826  0.33706059  0.36902386  1.0