# generated using pymatgen data_Ta12Zn9Cu3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06358191 _cell_length_b 8.06358242 _cell_length_c 8.06358171 _cell_angle_alpha 59.94205125 _cell_angle_beta 59.94204591 _cell_angle_gamma 59.94205196 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Zn9Cu3N2 _chemical_formula_sum 'Ta12 Zn9 Cu3 N2' _cell_volume 370.25235657 _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 Ta Ta0 1 0.19183675 0.80832466 0.19183675 1.0 Ta Ta1 1 0.44136111 0.05896605 0.44136111 1.0 Ta Ta2 1 0.44167534 0.05816325 0.05816325 1.0 Ta Ta3 1 0.44136111 0.44136111 0.05896605 1.0 Ta Ta4 1 0.19103395 0.80863889 0.80863889 1.0 Ta Ta5 1 0.05816325 0.44167534 0.05816325 1.0 Ta Ta6 1 0.80863889 0.80863889 0.19103395 1.0 Ta Ta7 1 0.05896605 0.44136111 0.44136111 1.0 Ta Ta8 1 0.19183675 0.19183675 0.80832466 1.0 Ta Ta9 1 0.80832466 0.19183675 0.19183675 1.0 Ta Ta10 1 0.80863889 0.19103395 0.80863889 1.0 Ta Ta11 1 0.05816325 0.05816325 0.44167534 1.0 Zn Zn12 1 0.83428470 0.50291080 0.83428470 1.0 Zn Zn13 1 0.41571530 0.41571530 0.74708920 1.0 Zn Zn14 1 0.74708920 0.41571530 0.41571530 1.0 Zn Zn15 1 0.41815800 0.41815800 0.41815800 1.0 Zn Zn16 1 0.83428470 0.83428470 0.50291080 1.0 Zn Zn17 1 0.41571530 0.74708920 0.41571530 1.0 Zn Zn18 1 0.83184200 0.83184200 0.83184200 1.0 Zn Zn19 1 0.50291080 0.83428470 0.83428470 1.0 Zn Zn20 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu21 1 0.62500000 0.12500000 0.62500000 1.0 Cu Cu22 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu23 1 0.12500000 0.62500000 0.62500000 1.0 N N24 1 0.00022458 0.00022458 0.00022458 1.0 N N25 1 0.24977542 0.24977542 0.24977542 1.0