# generated using pymatgen
data_TeI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27254400
_cell_length_b   6.31931390
_cell_length_c   48.87387976
_cell_angle_alpha   88.95171395
_cell_angle_beta   88.60717712
_cell_angle_gamma   83.91241933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeI4
_chemical_formula_sum   'Te6 I24'
_cell_volume   1618.55847276
_cell_formula_units_Z   6
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
  Te  Te0  1  0.21594700  0.71070900  0.72868900  1.0
  Te  Te1  1  0.49700600  0.62466300  0.62880800  1.0
  Te  Te2  1  0.83751000  0.54462500  0.54303500  1.0
  Te  Te3  1  0.16249000  0.45537500  0.45696500  1.0
  Te  Te4  1  0.50299400  0.37533700  0.37119200  1.0
  Te  Te5  1  0.78405300  0.28929100  0.27131100  1.0
  I  I6  1  0.30439400  0.40493200  0.77419300  1.0
  I  I7  1  0.62840200  0.38922700  0.67732300  1.0
  I  I8  1  0.73679900  0.92037100  0.73973900  1.0
  I  I9  1  0.10633900  0.91270700  0.65025700  1.0
  I  I10  1  0.93763900  0.32924500  0.59464600  1.0
  I  I11  1  0.24570600  0.25272900  0.51403600  1.0
  I  I12  1  0.43497700  0.83310800  0.56977200  1.0
  I  I13  1  0.75429400  0.74727100  0.48596400  1.0
  I  I14  1  0.56502300  0.16689200  0.43022800  1.0
  I  I15  1  0.89366100  0.08729300  0.34974300  1.0
  I  I16  1  0.06236100  0.67075500  0.40535400  1.0
  I  I17  1  0.26320100  0.07962900  0.26026100  1.0
  I  I18  1  0.37159800  0.61077300  0.32267700  1.0
  I  I19  1  0.57364700  0.92101600  0.18331600  1.0
  I  I20  1  0.69560600  0.59506800  0.22580700  1.0
  I  I21  1  0.95732500  0.79922900  0.11019500  1.0
  I  I22  1  0.06813600  0.43867600  0.13930200  1.0
  I  I23  1  0.28171900  0.72419500  0.02602500  1.0
  I  I24  1  0.38357000  0.37043400  0.05662300  1.0
  I  I25  1  0.71828100  0.27580500  0.97397500  1.0
  I  I26  1  0.61643000  0.62956600  0.94337700  1.0
  I  I27  1  0.93186400  0.56132400  0.86069800  1.0
  I  I28  1  0.04267500  0.20077100  0.88980500  1.0
  I  I29  1  0.42635300  0.07898400  0.81668400  1.0