# generated using pymatgen data_Th6TcCl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.77722281 _cell_length_b 9.77722283 _cell_length_c 9.77722297 _cell_angle_alpha 109.47122093 _cell_angle_beta 109.47122097 _cell_angle_gamma 109.47122312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th6TcCl15 _chemical_formula_sum 'Th6 Tc1 Cl15' _cell_volume 719.48979383 _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 Th Th0 1 0.00000000 0.24777266 0.24777266 1.0 Th Th1 1 1.00000000 0.75222734 0.75222734 1.0 Th Th2 1 0.24777266 0.00000000 0.24777266 1.0 Th Th3 1 0.75222734 1.00000000 0.75222734 1.0 Th Th4 1 0.24777266 0.24777266 0.00000000 1.0 Th Th5 1 0.75222734 0.75222734 1.00000000 1.0 Tc Tc6 1 0.00000000 0.00000000 0.00000000 1.0 Cl Cl7 1 0.49641583 0.24820841 0.24820841 1.0 Cl Cl8 1 0.50358417 0.75179159 0.75179159 1.0 Cl Cl9 1 1.00000000 0.24820841 0.75179159 1.0 Cl Cl10 1 0.00000000 0.75179159 0.24820841 1.0 Cl Cl11 1 0.24820841 0.49641583 0.24820841 1.0 Cl Cl12 1 0.75179159 0.00000000 0.24820841 1.0 Cl Cl13 1 0.75179159 0.50358417 0.75179159 1.0 Cl Cl14 1 0.24820841 1.00000000 0.75179159 1.0 Cl Cl15 1 0.24820841 0.24820841 0.49641583 1.0 Cl Cl16 1 0.75179159 0.75179159 0.50358417 1.0 Cl Cl17 1 0.75179159 0.24820841 0.00000000 1.0 Cl Cl18 1 0.24820841 0.75179159 0.00000000 1.0 Cl Cl19 1 0.00000000 0.50000000 0.50000000 1.0 Cl Cl20 1 0.50000000 0.00000000 0.50000000 1.0 Cl Cl21 1 0.50000000 0.50000000 0.00000000 1.0