# generated using pymatgen
data_TeI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.02104168
_cell_length_b   12.00966918
_cell_length_c   6.19729113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeI7
_chemical_formula_sum   'Te2 I14'
_cell_volume   894.69507328
_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
  Te  Te0  1  0.50000000  -0.00000000  0.74675803  1.0
  Te  Te1  1  0.00000000  0.50000000  0.25240071  1.0
  I  I2  1  0.50000000  0.24350639  0.78489158  1.0
  I  I3  1  0.50000000  0.75649361  0.78489158  1.0
  I  I4  1  0.74328586  -0.00000000  0.71033454  1.0
  I  I5  1  0.25671414  -0.00000000  0.71033454  1.0
  I  I6  1  0.00000000  0.25673175  0.21351347  1.0
  I  I7  1  0.00000000  0.74326825  0.21351347  1.0
  I  I8  1  0.75656114  0.50000000  0.28808991  1.0
  I  I9  1  0.24343886  0.50000000  0.28808991  1.0
  I  I10  1  0.50000000  -0.00000000  0.24610285  1.0
  I  I11  1  0.00000000  0.50000000  0.75088784  1.0
  I  I12  1  0.00000000  -0.00000000  0.73574625  1.0
  I  I13  1  0.50000000  0.50000000  0.76950256  1.0
  I  I14  1  0.50000000  0.50000000  0.26923392  1.0
  I  I15  1  0.00000000  -0.00000000  0.23570983  1.0