# generated using pymatgen data_Zr3SiO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51191847 _cell_length_b 5.81217571 _cell_length_c 8.48454887 _cell_angle_alpha 90.00460551 _cell_angle_beta 89.99990971 _cell_angle_gamma 107.60620063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3SiO _chemical_formula_sum 'Zr6 Si2 O2' _cell_volume 165.07328128 _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 Zr Zr0 1 0.05939791 0.11908522 0.25010786 1.0 Zr Zr1 1 0.94059677 0.88090227 0.74989265 1.0 Zr Zr2 1 0.36200185 0.72388564 0.05551291 1.0 Zr Zr3 1 0.63799829 0.27611304 0.94447632 1.0 Zr Zr4 1 0.63805521 0.27621229 0.55547303 1.0 Zr Zr5 1 0.36194577 0.72379029 0.44453787 1.0 Si Si6 1 0.74364684 0.48745357 0.25003135 1.0 Si Si7 1 0.25635840 0.51255487 0.74997011 1.0 O O8 1 0.00000132 0.00000080 0.50000257 1.0 O O9 1 0.00000164 0.99999801 0.99999634 1.0