# generated using pymatgen data_Nb6AlZn3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02339217 _cell_length_b 7.02294615 _cell_length_c 7.02489106 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.93965575 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6AlZn3N2 _chemical_formula_sum 'Nb12 Al2 Zn6 N4' _cell_volume 346.50189181 _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 Nb Nb0 1 0.79281184 0.95697640 0.37242200 1.0 Nb Nb1 1 0.70706522 0.04367129 0.87641399 1.0 Nb Nb2 1 0.20718816 0.45697640 0.12757800 1.0 Nb Nb3 1 0.29293478 0.54367129 0.62358601 1.0 Nb Nb4 1 0.95695525 0.37386703 0.79272633 1.0 Nb Nb5 1 0.04304475 0.87386703 0.70727367 1.0 Nb Nb6 1 0.45619943 0.12517803 0.20682192 1.0 Nb Nb7 1 0.54380057 0.62517803 0.29317808 1.0 Nb Nb8 1 0.37310760 0.79359099 0.95664567 1.0 Nb Nb9 1 0.87555339 0.70770628 0.04343541 1.0 Nb Nb10 1 0.12444661 0.20770628 0.45656459 1.0 Nb Nb11 1 0.62689240 0.29359099 0.54335433 1.0 Al Al12 1 0.92647027 0.57348251 0.42744194 1.0 Al Al13 1 0.07352973 0.07348251 0.07255806 1.0 Zn Zn14 1 0.18185193 0.82182061 0.32335148 1.0 Zn Zn15 1 0.32415183 0.17916151 0.81913334 1.0 Zn Zn16 1 0.81814807 0.32182061 0.17664852 1.0 Zn Zn17 1 0.67584817 0.67916151 0.68086666 1.0 Zn Zn18 1 0.57087383 0.42893546 0.92789920 1.0 Zn Zn19 1 0.42912617 0.92893546 0.57210080 1.0 N N20 1 0.87410332 0.12181051 0.62451302 1.0 N N21 1 0.62214653 0.87379937 0.12359733 1.0 N N22 1 0.12589668 0.62181051 0.87548698 1.0 N N23 1 0.37785347 0.37379937 0.37640267 1.0