# generated using pymatgen data_CsTc6Se7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73231593 _cell_length_b 9.73231603 _cell_length_c 9.73231531 _cell_angle_alpha 60.98736389 _cell_angle_beta 60.98736520 _cell_angle_gamma 60.98736218 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTc6Se7 _chemical_formula_sum 'Cs2 Tc12 Se14' _cell_volume 666.32691648 _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 Cs Cs0 1 0.38100986 0.38100986 0.38100986 1.0 Cs Cs1 1 0.61899014 0.61899014 0.61899014 1.0 Tc Tc2 1 0.30282015 0.12619280 0.99533496 1.0 Tc Tc3 1 0.19347832 0.88699557 0.06086202 1.0 Tc Tc4 1 0.88699557 0.06086202 0.19347832 1.0 Tc Tc5 1 0.93913798 0.80652168 0.11300443 1.0 Tc Tc6 1 0.80652168 0.11300443 0.93913798 1.0 Tc Tc7 1 0.11300443 0.93913798 0.80652168 1.0 Tc Tc8 1 0.99533496 0.30282015 0.12619280 1.0 Tc Tc9 1 0.87380720 0.00466504 0.69717985 1.0 Tc Tc10 1 0.12619280 0.99533496 0.30282015 1.0 Tc Tc11 1 0.00466504 0.69717985 0.87380720 1.0 Tc Tc12 1 0.69717985 0.87380720 0.00466504 1.0 Tc Tc13 1 0.06086202 0.19347832 0.88699557 1.0 Se Se14 1 0.98456921 0.23662323 0.64632494 1.0 Se Se15 1 0.23662323 0.64632494 0.98456921 1.0 Se Se16 1 0.64632494 0.98456921 0.23662323 1.0 Se Se17 1 0.01543079 0.76337677 0.35367506 1.0 Se Se18 1 0.76337677 0.35367506 0.01543079 1.0 Se Se19 1 0.35367506 0.01543079 0.76337677 1.0 Se Se20 1 0.16813534 0.41466146 0.81944207 1.0 Se Se21 1 0.41466146 0.81944207 0.16813534 1.0 Se Se22 1 0.81944207 0.16813534 0.41466146 1.0 Se Se23 1 0.83186466 0.58533854 0.18055793 1.0 Se Se24 1 0.58533854 0.18055793 0.83186466 1.0 Se Se25 1 0.18055793 0.83186466 0.58533854 1.0 Se Se26 1 0.77789559 0.77789559 0.77789559 1.0 Se Se27 1 0.22210441 0.22210441 0.22210441 1.0