# generated using pymatgen
data_Nb12TlTe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44717930
_cell_length_b   11.44717930
_cell_length_c   10.84605930
_cell_angle_alpha   61.74726946
_cell_angle_beta   61.74726946
_cell_angle_gamma   37.51990328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12TlTe16
_chemical_formula_sum   'Nb12 Tl1 Te16'
_cell_volume   749.66342999
_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  0.11766291  0.11766291  0.89925475  1.0
  Nb  Nb1  1  0.61921881  0.61921881  0.90003663  1.0
  Nb  Nb2  1  0.32505055  0.32505055  0.61390594  1.0
  Nb  Nb3  1  0.82440922  0.82440922  0.61325617  1.0
  Nb  Nb4  1  0.18074893  0.18074893  0.48847568  1.0
  Nb  Nb5  1  0.68281153  0.68281153  0.48560341  1.0
  Nb  Nb6  1  0.87353812  0.38579497  0.10017849  1.0
  Nb  Nb7  1  0.38579497  0.87353812  0.10017849  1.0
  Nb  Nb8  1  0.67455793  0.17560862  0.39038598  1.0
  Nb  Nb9  1  0.17560862  0.67455793  0.39038598  1.0
  Nb  Nb10  1  0.82605884  0.31427336  0.50958775  1.0
  Nb  Nb11  1  0.31427336  0.82605884  0.50958775  1.0
  Tl  Tl12  1  0.37555451  0.37555451  0.99861889  1.0
  Te  Te13  1  0.54136343  0.54136343  0.33528540  1.0
  Te  Te14  1  0.04198013  0.04198013  0.33142892  1.0
  Te  Te15  1  0.45793485  0.95874004  0.66671686  1.0
  Te  Te16  1  0.95874004  0.45793485  0.66671686  1.0
  Te  Te17  1  0.73833177  0.73833177  0.93546870  1.0
  Te  Te18  1  0.23525600  0.23525600  0.93747388  1.0
  Te  Te19  1  0.84336421  0.84336421  0.33919545  1.0
  Te  Te20  1  0.34289897  0.34289897  0.34092474  1.0
  Te  Te21  1  0.54604693  0.54604693  0.72048914  1.0
  Te  Te22  1  0.04382759  0.04382759  0.72667789  1.0
  Te  Te23  1  0.26128627  0.76027225  0.06345819  1.0
  Te  Te24  1  0.76027225  0.26128627  0.06345819  1.0
  Te  Te25  1  0.15544500  0.65816304  0.66470115  1.0
  Te  Te26  1  0.65816304  0.15544500  0.66470115  1.0
  Te  Te27  1  0.45768797  0.95711528  0.27192278  1.0
  Te  Te28  1  0.95711528  0.45768797  0.27192278  1.0