# generated using pymatgen data_BaScTc4N7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29515067 _cell_length_b 6.29515121 _cell_length_c 10.23516922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99993239 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScTc4N7 _chemical_formula_sum 'Ba2 Sc2 Tc8 N14' _cell_volume 351.26772691 _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 Ba Ba0 1 0.66666614 0.33333267 0.56560469 1.0 Ba Ba1 1 0.33333386 0.66666733 0.06560469 1.0 Sc Sc2 1 0.66666580 0.33333325 0.94462694 1.0 Sc Sc3 1 0.33333420 0.66666675 0.44462694 1.0 Tc Tc4 1 0.16442750 0.32885508 0.75991045 1.0 Tc Tc5 1 0.83557240 0.16442718 0.25990999 1.0 Tc Tc6 1 0.32885471 0.16442695 0.25991002 1.0 Tc Tc7 1 0.67114529 0.83557305 0.75991002 1.0 Tc Tc8 1 0.16442760 0.83557282 0.75990999 1.0 Tc Tc9 1 0.83557250 0.67114492 0.25991045 1.0 Tc Tc10 1 0.00000131 0.00000202 0.06618767 1.0 Tc Tc11 1 0.99999869 0.99999798 0.56618767 1.0 N N12 1 0.99999907 0.00000049 0.84527145 1.0 N N13 1 0.00000093 0.99999951 0.34527145 1.0 N N14 1 0.82775328 0.65550810 0.07039718 1.0 N N15 1 0.17224766 0.82775312 0.57039566 1.0 N N16 1 0.65550697 0.82775299 0.57039718 1.0 N N17 1 0.34449303 0.17224701 0.07039718 1.0 N N18 1 0.82775234 0.17224688 0.07039566 1.0 N N19 1 0.17224672 0.34449190 0.57039718 1.0 N N20 1 0.49459378 0.50540715 0.82006996 1.0 N N21 1 0.98918806 0.49459500 0.32006983 1.0 N N22 1 0.50540447 0.01081164 0.32006998 1.0 N N23 1 0.49459553 0.98918836 0.82006998 1.0 N N24 1 0.50540622 0.49459285 0.32006996 1.0 N N25 1 0.01081194 0.50540500 0.82006983 1.0