# generated using pymatgen
data_Nb6CdTcS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83295513
_cell_length_b   5.83295576
_cell_length_c   12.77139102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CdTcS12
_chemical_formula_sum   'Nb6 Cd1 Tc1 S12'
_cell_volume   376.31033222
_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  0.51853329  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.98146671  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.97984414  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.98578234  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.51421766  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.52015586  1.0
  Cd  Cd6  1  0.33333300  0.66666700  0.25000000  1.0
  Tc  Tc7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.33049960  0.32966374  0.39398520  1.0
  S  S9  1  0.67033626  0.00083686  0.39398520  1.0
  S  S10  1  0.99916314  0.66950040  0.39398520  1.0
  S  S11  1  0.33623733  0.33293319  0.63913284  1.0
  S  S12  1  0.99669586  0.66376267  0.63913284  1.0
  S  S13  1  0.66706681  0.00330414  0.63913284  1.0
  S  S14  1  0.66706681  0.66376267  0.86086716  1.0
  S  S15  1  0.33623733  0.00330414  0.86086716  1.0
  S  S16  1  0.99669586  0.33293319  0.86086716  1.0
  S  S17  1  0.67033626  0.66950040  0.10601480  1.0
  S  S18  1  0.99916314  0.32966374  0.10601480  1.0
  S  S19  1  0.33049960  0.00083686  0.10601480  1.0