# generated using pymatgen
data_TcI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00406000
_cell_length_b   14.25350000
_cell_length_c   16.86508862
_cell_angle_alpha   89.68515696
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcI4
_chemical_formula_sum   'Tc8 I32'
_cell_volume   1683.65633455
_cell_formula_units_Z   8
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
  Tc  Tc0  1  0.09525900  0.37319900  0.82833700  1.0
  Tc  Tc1  1  0.59525900  0.12680100  0.17166300  1.0
  Tc  Tc2  1  0.90474100  0.62680100  0.17166300  1.0
  Tc  Tc3  1  0.40474100  0.87319900  0.82833700  1.0
  Tc  Tc4  1  0.40666300  0.62601300  0.30971500  1.0
  Tc  Tc5  1  0.90666300  0.87398700  0.69028500  1.0
  Tc  Tc6  1  0.59333700  0.37398700  0.69028500  1.0
  Tc  Tc7  1  0.09333700  0.12601300  0.30971500  1.0
  I  I8  1  0.91760700  0.26749300  0.70608700  1.0
  I  I9  1  0.41760700  0.23250700  0.29391300  1.0
  I  I10  1  0.08239300  0.73250700  0.29391300  1.0
  I  I11  1  0.58239300  0.76749300  0.70608700  1.0
  I  I12  1  0.76800200  0.47927100  0.81492600  1.0
  I  I13  1  0.26800200  0.02072900  0.18507400  1.0
  I  I14  1  0.23199800  0.52072900  0.18507400  1.0
  I  I15  1  0.73199800  0.97927100  0.81492600  1.0
  I  I16  1  0.96251700  0.25513200  0.93572300  1.0
  I  I17  1  0.46251700  0.24486800  0.06427700  1.0
  I  I18  1  0.03748300  0.74486800  0.06427700  1.0
  I  I19  1  0.53748300  0.75513200  0.93572300  1.0
  I  I20  1  0.24083800  0.48987000  0.93378700  1.0
  I  I21  1  0.74083800  0.01013000  0.06621300  1.0
  I  I22  1  0.75916200  0.51013000  0.06621300  1.0
  I  I23  1  0.25916200  0.98987000  0.93378700  1.0
  I  I24  1  0.58219200  0.73429100  0.18806100  1.0
  I  I25  1  0.08219200  0.76570900  0.81193900  1.0
  I  I26  1  0.41780800  0.26570900  0.81193900  1.0
  I  I27  1  0.91780800  0.23429100  0.18806100  1.0
  I  I28  1  0.73302300  0.51973500  0.29551900  1.0
  I  I29  1  0.23302300  0.98026500  0.70448100  1.0
  I  I30  1  0.26697700  0.48026500  0.70448100  1.0
  I  I31  1  0.76697700  0.01973500  0.29551900  1.0
  I  I32  1  0.53872900  0.74377400  0.41730000  1.0
  I  I33  1  0.03872900  0.75622600  0.58270000  1.0
  I  I34  1  0.46127100  0.25622600  0.58270000  1.0
  I  I35  1  0.96127100  0.24377400  0.41730000  1.0
  I  I36  1  0.27343300  0.50555700  0.41559700  1.0
  I  I37  1  0.77343300  0.99444300  0.58440300  1.0
  I  I38  1  0.72656700  0.49444300  0.58440300  1.0
  I  I39  1  0.22656700  0.00555700  0.41559700  1.0