# generated using pymatgen
data_Nb4Te12I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.32069945
_cell_length_b   11.32069945
_cell_length_c   19.91730264
_cell_angle_alpha   59.72977702
_cell_angle_beta   59.72977702
_cell_angle_gamma   31.69683711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Te12I
_chemical_formula_sum   'Nb8 Te24 I2'
_cell_volume   1142.31093629
_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  0.60220100  0.23186200  0.73406500  1.0
  Nb  Nb1  1  0.11056900  0.02273000  0.13414800  1.0
  Nb  Nb2  1  0.97727000  0.88943100  0.36585200  1.0
  Nb  Nb3  1  0.76813800  0.39779900  0.76593500  1.0
  Nb  Nb4  1  0.39779900  0.76813800  0.26593500  1.0
  Nb  Nb5  1  0.23186200  0.60220100  0.23406500  1.0
  Nb  Nb6  1  0.02273000  0.11056900  0.63414800  1.0
  Nb  Nb7  1  0.88943100  0.97727000  0.86585200  1.0
  Te  Te8  1  0.93234300  0.94095700  0.12450400  1.0
  Te  Te9  1  0.05904300  0.06765700  0.37549600  1.0
  Te  Te10  1  0.35903800  0.91275000  0.51302900  1.0
  Te  Te11  1  0.08725000  0.64096200  0.98697100  1.0
  Te  Te12  1  0.64096200  0.08725000  0.48697100  1.0
  Te  Te13  1  0.91275000  0.35903800  0.01302900  1.0
  Te  Te14  1  0.65885400  0.39281300  0.56681600  1.0
  Te  Te15  1  0.60718700  0.34114600  0.93318400  1.0
  Te  Te16  1  0.34114600  0.60718700  0.43318400  1.0
  Te  Te17  1  0.39281300  0.65885400  0.06681600  1.0
  Te  Te18  1  0.82675200  0.81215700  0.82976500  1.0
  Te  Te19  1  0.18784300  0.17324800  0.67023500  1.0
  Te  Te20  1  0.17324800  0.18784300  0.17023500  1.0
  Te  Te21  1  0.81215700  0.82675200  0.32976500  1.0
  Te  Te22  1  0.46231900  0.19583600  0.90544300  1.0
  Te  Te23  1  0.80416400  0.53768100  0.59455700  1.0
  Te  Te24  1  0.53768100  0.80416400  0.09455700  1.0
  Te  Te25  1  0.19583600  0.46231900  0.40544300  1.0
  Te  Te26  1  0.23980400  0.42586300  0.71814900  1.0
  Te  Te27  1  0.57413700  0.76019600  0.78185100  1.0
  Te  Te28  1  0.76019600  0.57413700  0.28185100  1.0
  Te  Te29  1  0.42586300  0.23980400  0.21814900  1.0
  Te  Te30  1  0.94095700  0.93234300  0.62450400  1.0
  Te  Te31  1  0.06765700  0.05904300  0.87549600  1.0
  I  I32  1  0.68051300  0.31948700  0.25000000  1.0
  I  I33  1  0.31948700  0.68051300  0.75000000  1.0