# generated using pymatgen
data_Nb9TlSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76934757
_cell_length_b   10.76934757
_cell_length_c   10.76934691
_cell_angle_alpha   109.95758627
_cell_angle_beta   109.95758627
_cell_angle_gamma   109.95758318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb9TlSe12
_chemical_formula_sum   'Nb18 Tl2 Se24'
_cell_volume   943.78274774
_cell_formula_units_Z   2
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  0.65917400  0.55198100  0.03982500  1.0
  Nb  Nb1  1  0.32480100  0.21824000  0.70581500  1.0
  Nb  Nb2  1  0.99148100  0.88516600  0.37337400  1.0
  Nb  Nb3  1  0.88516600  0.37337400  0.99148100  1.0
  Nb  Nb4  1  0.55198100  0.03982500  0.65917400  1.0
  Nb  Nb5  1  0.21824000  0.70581500  0.32480100  1.0
  Nb  Nb6  1  0.70581500  0.32480100  0.21824000  1.0
  Nb  Nb7  1  0.37337400  0.99148100  0.88516600  1.0
  Nb  Nb8  1  0.03982500  0.65917400  0.55198100  1.0
  Nb  Nb9  1  0.67519900  0.78176000  0.29418500  1.0
  Nb  Nb10  1  0.34082600  0.44801900  0.96017500  1.0
  Nb  Nb11  1  0.00851900  0.11483400  0.62662600  1.0
  Nb  Nb12  1  0.44801900  0.96017500  0.34082600  1.0
  Nb  Nb13  1  0.11483400  0.62662600  0.00851900  1.0
  Nb  Nb14  1  0.78176000  0.29418500  0.67519900  1.0
  Nb  Nb15  1  0.62662600  0.00851900  0.11483400  1.0
  Nb  Nb16  1  0.29418500  0.67519900  0.78176000  1.0
  Nb  Nb17  1  0.96017500  0.34082600  0.44801900  1.0
  Tl  Tl18  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl19  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se20  1  0.08324600  0.41642600  0.74984500  1.0
  Se  Se21  1  0.41642600  0.74984500  0.08324600  1.0
  Se  Se22  1  0.74984500  0.08324600  0.41642600  1.0
  Se  Se23  1  0.91675400  0.58357400  0.25015500  1.0
  Se  Se24  1  0.25015500  0.91675400  0.58357400  1.0
  Se  Se25  1  0.58357400  0.25015500  0.91675400  1.0
  Se  Se26  1  0.15772700  0.87641800  0.21750300  1.0
  Se  Se27  1  0.48987000  0.20825300  0.54959300  1.0
  Se  Se28  1  0.82378300  0.54343400  0.88337700  1.0
  Se  Se29  1  0.20825300  0.54959300  0.48987000  1.0
  Se  Se30  1  0.54343500  0.88337700  0.82378300  1.0
  Se  Se31  1  0.87641800  0.21750300  0.15772700  1.0
  Se  Se32  1  0.88337700  0.82378300  0.54343400  1.0
  Se  Se33  1  0.21750300  0.15772700  0.87641800  1.0
  Se  Se34  1  0.54959300  0.48987000  0.20825300  1.0
  Se  Se35  1  0.84227300  0.12358200  0.78249700  1.0
  Se  Se36  1  0.17621700  0.45656600  0.11662300  1.0
  Se  Se37  1  0.51013000  0.79174700  0.45040700  1.0
  Se  Se38  1  0.79174700  0.45040700  0.51013000  1.0
  Se  Se39  1  0.12358200  0.78249700  0.84227300  1.0
  Se  Se40  1  0.45656600  0.11662300  0.17621700  1.0
  Se  Se41  1  0.11662300  0.17621700  0.45656600  1.0
  Se  Se42  1  0.45040700  0.51013000  0.79174700  1.0
  Se  Se43  1  0.78249700  0.84227300  0.12358200  1.0