# generated using pymatgen
data_Tc(ClO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30315900
_cell_length_b   7.31012760
_cell_length_c   8.38621203
_cell_angle_alpha   81.36095831
_cell_angle_beta   65.60859980
_cell_angle_gamma   81.90727540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc(ClO)6
_chemical_formula_sum   'Tc1 Cl6 O6'
_cell_volume   401.58359190
_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
  Tc  Tc0  1  0.00551300  0.99455200  0.00185400  1.0
  Cl  Cl1  1  0.27467000  0.99409200  0.73151600  1.0
  Cl  Cl2  1  0.73104200  0.98828800  0.26874500  1.0
  Cl  Cl3  1  0.93158100  0.30827800  0.94896200  1.0
  Cl  Cl4  1  0.79883600  0.93220000  0.87500200  1.0
  Cl  Cl5  1  0.20801600  0.06433500  0.13015600  1.0
  Cl  Cl6  1  0.08567200  0.68223300  0.05807000  1.0
  O  O7  1  0.41255600  0.45305000  0.35774100  1.0
  O  O8  1  0.50637700  0.55576900  0.22669900  1.0
  O  O9  1  0.56502700  0.43948700  0.65998400  1.0
  O  O10  1  0.62957700  0.27615500  0.64017800  1.0
  O  O11  1  0.96505800  0.70994200  0.50270900  1.0
  O  O12  1  0.95007500  0.57961900  0.61738300  1.0