# generated using pymatgen
data_Nb6CoTcS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81476701
_cell_length_b   5.81476744
_cell_length_c   12.03816059
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CoTcS12
_chemical_formula_sum   'Nb6 Co1 Tc1 S12'
_cell_volume   352.49701474
_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  0.99602214  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.49779585  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.50397786  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.99802767  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.00220415  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.50197233  1.0
  Co  Co6  1  0.33333300  0.66666700  0.25000000  1.0
  Tc  Tc7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.00306936  0.66952573  0.12935783  1.0
  S  S9  1  0.66780162  0.66305274  0.63115189  1.0
  S  S10  1  0.00306936  0.33354362  0.37064217  1.0
  S  S11  1  0.33047427  0.33354362  0.12935783  1.0
  S  S12  1  0.33694726  0.00474888  0.63115189  1.0
  S  S13  1  0.33694726  0.33219838  0.86884811  1.0
  S  S14  1  0.66645638  0.66952573  0.37064217  1.0
  S  S15  1  0.99525112  0.66305274  0.86884811  1.0
  S  S16  1  0.66780162  0.00474888  0.86884811  1.0
  S  S17  1  0.33047427  0.99693064  0.37064217  1.0
  S  S18  1  0.66645638  0.99693064  0.12935783  1.0
  S  S19  1  0.99525112  0.33219838  0.63115189  1.0