# generated using pymatgen data_Si3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75216938 _cell_length_b 7.75231902 _cell_length_c 5.61885196 _cell_angle_alpha 90.00113541 _cell_angle_beta 90.00009886 _cell_angle_gamma 120.00288814 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3N4 _chemical_formula_sum 'Si12 N16' _cell_volume 292.42902133 _cell_formula_units_Z 4 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 Si Si0 1 0.08194295 0.56967730 0.19639718 1.0 Si Si1 1 0.48765980 0.91797367 0.19632482 1.0 Si Si2 1 0.91387376 0.16727090 0.98847927 1.0 Si Si3 1 0.56969795 0.08196973 0.69633305 1.0 Si Si4 1 0.08614748 0.25342016 0.48846905 1.0 Si Si5 1 0.16727227 0.91388606 0.48844407 1.0 Si Si6 1 0.43027306 0.51232874 0.19621747 1.0 Si Si7 1 0.74660292 0.83273085 0.48834894 1.0 Si Si8 1 0.91801529 0.48768904 0.69639262 1.0 Si Si9 1 0.51235082 0.43028155 0.69621394 1.0 Si Si10 1 0.83273211 0.74661845 0.98835678 1.0 Si Si11 1 0.25342714 0.08615076 0.98842568 1.0 N N12 1 0.34455661 0.39008463 0.46906888 1.0 N N13 1 0.04553717 0.65547847 0.46923354 1.0 N N14 1 0.39010237 0.34455444 0.96906532 1.0 N N15 1 0.60989362 0.95441213 0.46916457 1.0 N N16 1 0.00001998 0.00001973 0.98900807 1.0 N N17 1 0.99648297 0.31481679 0.73484545 1.0 N N18 1 0.00000806 0.00001881 0.48900836 1.0 N N19 1 0.66669869 0.33329280 0.64074727 1.0 N N20 1 0.68160746 0.68527730 0.23464202 1.0 N N21 1 0.65546389 0.04551855 0.96917387 1.0 N N22 1 0.95441688 0.60990772 0.96922766 1.0 N N23 1 0.33326093 0.66665132 0.14074341 1.0 N N24 1 0.00351565 0.31834364 0.23485088 1.0 N N25 1 0.31836574 0.00356362 0.73478478 1.0 N N26 1 0.68528252 0.68161728 0.73464333 1.0 N N27 1 0.31478692 0.99644454 0.23478171 1.0