# generated using pymatgen
data_Nb7TcS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82724123
_cell_length_b   5.82724047
_cell_length_c   12.37037936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb7TcS12
_chemical_formula_sum   'Nb7 Tc1 S12'
_cell_volume   363.78058570
_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  0.25000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.51056297  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.99515243  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.50484757  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.98943703  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.50893081  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.99106919  1.0
  Tc  Tc7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33042658  0.33203529  0.11980538  1.0
  S  S9  1  0.66796471  0.99839029  0.11980538  1.0
  S  S10  1  0.00160971  0.66957342  0.11980538  1.0
  S  S11  1  0.99522141  0.33216278  0.63398264  1.0
  S  S12  1  0.66783722  0.00477859  0.86601736  1.0
  S  S13  1  0.66783722  0.66305862  0.63398264  1.0
  S  S14  1  0.33694138  0.00477859  0.63398264  1.0
  S  S15  1  0.66796471  0.66957342  0.38019462  1.0
  S  S16  1  0.33042658  0.99839029  0.38019462  1.0
  S  S17  1  0.33694138  0.33216278  0.86601736  1.0
  S  S18  1  0.99522141  0.66305862  0.86601736  1.0
  S  S19  1  0.00160971  0.33203529  0.38019462  1.0