# generated using pymatgen data_GaMo6Ir3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81883499 _cell_length_b 6.82821491 _cell_length_c 6.80359540 _cell_angle_alpha 88.97228322 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMo6Ir3N2 _chemical_formula_sum 'Ga2 Mo12 Ir6 N4' _cell_volume 316.72764625 _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 Ga Ga0 1 0.68767183 0.18150984 0.93507925 1.0 Ga Ga1 1 0.18767183 0.81849016 0.06492075 1.0 Mo Mo2 1 0.62195481 0.04558969 0.54909410 1.0 Mo Mo3 1 0.12195481 0.95441031 0.45090590 1.0 Mo Mo4 1 0.86895878 0.54488225 0.94621869 1.0 Mo Mo5 1 0.36895878 0.45511775 0.05378131 1.0 Mo Mo6 1 0.19820475 0.62538560 0.69747292 1.0 Mo Mo7 1 0.30017672 0.12154626 0.78895816 1.0 Mo Mo8 1 0.80017672 0.87845374 0.21104184 1.0 Mo Mo9 1 0.69820475 0.37461440 0.30252708 1.0 Mo Mo10 1 0.05245460 0.21145456 0.13195413 1.0 Mo Mo11 1 0.95963608 0.30822009 0.62245106 1.0 Mo Mo12 1 0.55245460 0.78854544 0.86804587 1.0 Mo Mo13 1 0.45963608 0.69177991 0.37754894 1.0 Ir Ir14 1 0.81213496 0.69186367 0.56519864 1.0 Ir Ir15 1 0.31213496 0.30813633 0.43480136 1.0 Ir Ir16 1 0.05854203 0.56624246 0.30348615 1.0 Ir Ir17 1 0.43842548 0.06062085 0.17819105 1.0 Ir Ir18 1 0.55854203 0.43375754 0.69651385 1.0 Ir Ir19 1 0.93842548 0.93937915 0.82180895 1.0 N N20 1 0.37525710 0.87178054 0.62075128 1.0 N N21 1 0.87525710 0.12821946 0.37924872 1.0 N N22 1 0.12658387 0.37642039 0.87286332 1.0 N N23 1 0.62658387 0.62357961 0.12713668 1.0