# generated using pymatgen
data_Nb12TlTe15As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71225975
_cell_length_b   10.71225975
_cell_length_c   7.32204200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12TlTe15As
_chemical_formula_sum   'Nb12 Tl1 Te15 As1'
_cell_volume   727.65420557
_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  0.43788900  0.28204100  0.00000000  1.0
  Nb  Nb1  1  0.43778800  0.28588400  0.50000000  1.0
  Nb  Nb2  1  0.71795900  0.15584800  0.00000000  1.0
  Nb  Nb3  1  0.71411600  0.15190300  0.50000000  1.0
  Nb  Nb4  1  0.84415200  0.56211100  0.00000000  1.0
  Nb  Nb5  1  0.84809700  0.56221200  0.50000000  1.0
  Nb  Nb6  1  0.22007700  0.05196500  0.76594300  1.0
  Nb  Nb7  1  0.22007700  0.05196500  0.23405700  1.0
  Nb  Nb8  1  0.94803500  0.16811200  0.76594300  1.0
  Nb  Nb9  1  0.94803500  0.16811200  0.23405700  1.0
  Nb  Nb10  1  0.83188800  0.77992300  0.76594300  1.0
  Nb  Nb11  1  0.83188800  0.77992300  0.23405700  1.0
  Tl  Tl12  1  0.33333300  0.66666700  0.00000000  1.0
  Te  Te13  1  0.39740600  0.00428700  0.00000000  1.0
  Te  Te14  1  0.38838200  0.00488100  0.50000000  1.0
  Te  Te15  1  0.99571300  0.39311800  0.00000000  1.0
  Te  Te16  1  0.99511900  0.38350000  0.50000000  1.0
  Te  Te17  1  0.60688200  0.60259400  0.00000000  1.0
  Te  Te18  1  0.61650000  0.61161800  0.50000000  1.0
  Te  Te19  1  0.26943000  0.33384500  0.75162200  1.0
  Te  Te20  1  0.26943000  0.33384500  0.24837800  1.0
  Te  Te21  1  0.66615500  0.93558500  0.75162200  1.0
  Te  Te22  1  0.66615500  0.93558500  0.24837800  1.0
  Te  Te23  1  0.06441500  0.73057000  0.75162200  1.0
  Te  Te24  1  0.06441500  0.73057000  0.24837800  1.0
  Te  Te25  1  0.00000000  0.00000000  0.50000000  1.0
  Te  Te26  1  0.66666700  0.33333300  0.74898800  1.0
  Te  Te27  1  0.66666700  0.33333300  0.25101200  1.0
  As  As28  1  0.00000000  0.00000000  0.00000000  1.0