# generated using pymatgen
data_Nb2TcS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67499649
_cell_length_b   5.67499614
_cell_length_c   6.58043418
_cell_angle_alpha   81.75329906
_cell_angle_beta   81.75329420
_cell_angle_gamma   119.96589124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcS6
_chemical_formula_sum   'Nb2 Tc1 S6'
_cell_volume   175.88835255
_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  0.83314611  0.49975179  0.49994127  1.0
  Nb  Nb1  1  0.49975179  0.83314611  0.49994127  1.0
  Tc  Tc2  1  0.16689977  0.16689977  0.50001105  1.0
  S  S3  1  0.57173518  0.24837857  0.25415825  1.0
  S  S4  1  0.24837857  0.57173518  0.25415825  1.0
  S  S5  1  0.92502693  0.92502693  0.25478551  1.0
  S  S6  1  0.76213995  0.76213995  0.74564388  1.0
  S  S7  1  0.40801210  0.08481159  0.74582926  1.0
  S  S8  1  0.08481159  0.40801210  0.74582926  1.0