# generated using pymatgen data_BaNdTc4N7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46907691 _cell_length_b 6.46906949 _cell_length_c 10.59875227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00017005 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNdTc4N7 _chemical_formula_sum 'Ba2 Nd2 Tc8 N14' _cell_volume 384.12162723 _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 0.33333469 0.66666327 0.34978485 1.0 Ba Ba1 1 0.66666531 0.33333673 0.84978485 1.0 Nd Nd2 1 0.33333314 0.66666535 0.72255697 1.0 Nd Nd3 1 0.66666686 0.33333465 0.22255697 1.0 Tc Tc4 1 0.83984933 0.67970168 0.54836764 1.0 Tc Tc5 1 0.16014904 0.83985438 0.04836654 1.0 Tc Tc6 1 0.67970578 0.83985271 0.04836730 1.0 Tc Tc7 1 0.32029422 0.16014729 0.54836730 1.0 Tc Tc8 1 0.83985096 0.16014562 0.54836654 1.0 Tc Tc9 1 0.16015067 0.32029832 0.04836764 1.0 Tc Tc10 1 0.99999622 0.99999837 0.85915355 1.0 Tc Tc11 1 0.00000378 0.00000163 0.35915355 1.0 N N12 1 0.00000643 0.00000193 0.63368048 1.0 N N13 1 0.99999357 0.99999807 0.13368048 1.0 N N14 1 0.16675953 0.33351299 0.86503446 1.0 N N15 1 0.83324711 0.16675239 0.36503437 1.0 N N16 1 0.33350700 0.16675595 0.36503871 1.0 N N17 1 0.66649300 0.83324405 0.86503871 1.0 N N18 1 0.16675289 0.83324761 0.86503437 1.0 N N19 1 0.83324047 0.66648701 0.36503446 1.0 N N20 1 0.96695603 0.48347730 0.59617244 1.0 N N21 1 0.48348387 0.96695068 0.09617173 1.0 N N22 1 0.48348880 0.51652919 0.09617096 1.0 N N23 1 0.51651120 0.48347081 0.59617096 1.0 N N24 1 0.03304397 0.51652270 0.09617244 1.0 N N25 1 0.51651613 0.03304932 0.59617173 1.0