# generated using pymatgen data_Tc7As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12013473 _cell_length_b 13.05178253 _cell_length_c 15.90979335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc7As12 _chemical_formula_sum 'Tc14 As24' _cell_volume 647.89960495 _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 0.00000000 0.20056677 0.61055339 1.0 Tc Tc1 1 0.00000000 0.79943323 0.38944661 1.0 Tc Tc2 1 0.50000000 0.70056677 0.88944661 1.0 Tc Tc3 1 0.50000000 0.29943323 0.11055339 1.0 Tc Tc4 1 0.00000000 0.59316097 0.75713645 1.0 Tc Tc5 1 0.00000000 0.40683903 0.24286355 1.0 Tc Tc6 1 0.50000000 0.09316097 0.74286355 1.0 Tc Tc7 1 0.50000000 0.90683903 0.25713645 1.0 Tc Tc8 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc9 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc10 1 0.00000000 0.38225855 0.85425901 1.0 Tc Tc11 1 0.00000000 0.61774145 0.14574099 1.0 Tc Tc12 1 0.50000000 0.88225855 0.64574099 1.0 Tc Tc13 1 0.50000000 0.11774145 0.35425901 1.0 As As14 1 0.00000000 0.59607140 0.59390261 1.0 As As15 1 0.00000000 0.40392860 0.40609739 1.0 As As16 1 0.50000000 0.09607140 0.90609739 1.0 As As17 1 0.50000000 0.90392860 0.09390261 1.0 As As18 1 0.00000000 0.94311613 0.75933313 1.0 As As19 1 0.00000000 0.05688387 0.24066687 1.0 As As20 1 0.50000000 0.44311613 0.74066687 1.0 As As21 1 0.50000000 0.55688387 0.25933313 1.0 As As22 1 0.00000000 0.76457149 0.23772210 1.0 As As23 1 0.00000000 0.23542851 0.76227790 1.0 As As24 1 0.50000000 0.26457149 0.26227790 1.0 As As25 1 0.50000000 0.73542851 0.73772210 1.0 As As26 1 0.00000000 0.85578993 0.90056261 1.0 As As27 1 0.00000000 0.14421007 0.09943739 1.0 As As28 1 0.50000000 0.35578993 0.59943739 1.0 As As29 1 0.50000000 0.64421007 0.40056261 1.0 As As30 1 0.00000000 0.55680970 0.91223354 1.0 As As31 1 0.00000000 0.44319030 0.08776646 1.0 As As32 1 0.50000000 0.05680970 0.58776646 1.0 As As33 1 0.50000000 0.94319030 0.41223354 1.0 As As34 1 0.00000000 0.78451591 0.55213215 1.0 As As35 1 0.00000000 0.21548409 0.44786785 1.0 As As36 1 0.50000000 0.28451591 0.94786785 1.0 As As37 1 0.50000000 0.71548409 0.05213215 1.0