# generated using pymatgen data_Si3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57578800 _cell_length_b 5.57778500 _cell_length_c 9.52379400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3N4 _chemical_formula_sum 'Si12 N16' _cell_volume 243.07352445 _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 0.56017900 0.75000000 0.09228000 1.0 Si Si1 1 0.06017900 0.25000000 0.40772000 1.0 Si Si2 1 0.49115700 0.75000000 0.77410300 1.0 Si Si3 1 0.43982100 0.25000000 0.90772000 1.0 Si Si4 1 0.00884300 0.75000000 0.27410300 1.0 Si Si5 1 0.93982100 0.75000000 0.59228000 1.0 Si Si6 1 0.99115700 0.25000000 0.72589700 1.0 Si Si7 1 0.50000000 0.00000000 0.50000000 1.0 Si Si8 1 0.00000000 0.00000000 0.00000000 1.0 Si Si9 1 0.50884300 0.25000000 0.22589700 1.0 Si Si10 1 0.00000000 0.50000000 0.00000000 1.0 Si Si11 1 0.50000000 0.50000000 0.50000000 1.0 N N12 1 0.31248500 0.75000000 0.59171500 1.0 N N13 1 0.18751500 0.75000000 0.09171500 1.0 N N14 1 0.24210800 0.00475000 0.33744700 1.0 N N15 1 0.24349300 0.25000000 0.57138900 1.0 N N16 1 0.75789200 0.50475000 0.66255300 1.0 N N17 1 0.75789200 0.99525000 0.66255300 1.0 N N18 1 0.74210800 0.50475000 0.16255300 1.0 N N19 1 0.75650700 0.75000000 0.42861100 1.0 N N20 1 0.25789200 0.49525000 0.83744700 1.0 N N21 1 0.74210800 0.99525000 0.16255300 1.0 N N22 1 0.25650700 0.25000000 0.07138900 1.0 N N23 1 0.25789200 0.00475000 0.83744700 1.0 N N24 1 0.68751500 0.25000000 0.40828500 1.0 N N25 1 0.74349300 0.75000000 0.92861100 1.0 N N26 1 0.24210800 0.49525000 0.33744700 1.0 N N27 1 0.81248500 0.25000000 0.90828500 1.0