# generated using pymatgen data_Tc(I3O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92813700 _cell_length_b 7.92813700 _cell_length_c 8.62982700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc(I3O)2 _chemical_formula_sum 'Tc2 I12 O4' _cell_volume 542.43085081 _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 Tc Tc0 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc1 1 0.00000000 0.00000000 0.50000000 1.0 I I2 1 0.50000000 0.50000000 0.30938300 1.0 I I3 1 0.00000000 0.00000000 0.80938300 1.0 I I4 1 0.50000000 0.50000000 0.69061700 1.0 I I5 1 0.00000000 0.00000000 0.19061700 1.0 I I6 1 0.82096500 0.60750400 0.00000000 1.0 I I7 1 0.17903500 0.39249600 0.00000000 1.0 I I8 1 0.67903500 0.10750400 0.50000000 1.0 I I9 1 0.32096500 0.89249600 0.50000000 1.0 I I10 1 0.60750400 0.17903500 0.00000000 1.0 I I11 1 0.39249600 0.82096500 0.00000000 1.0 I I12 1 0.10750400 0.32096500 0.50000000 1.0 I I13 1 0.89249600 0.67903500 0.50000000 1.0 O O14 1 0.00000000 0.50000000 0.25000000 1.0 O O15 1 0.50000000 0.00000000 0.75000000 1.0 O O16 1 0.50000000 0.00000000 0.25000000 1.0 O O17 1 0.00000000 0.50000000 0.75000000 1.0