# generated using pymatgen data_ZrSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31316328 _cell_length_b 6.31316328 _cell_length_c 6.31316328 _cell_angle_alpha 135.44883976 _cell_angle_beta 135.44883976 _cell_angle_gamma 64.83359839 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSiO4 _chemical_formula_sum 'Zr2 Si2 O8' _cell_volume 122.08193450 _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 0.50000000 0.50000000 0.00000000 1.0 Zr Zr1 1 0.25000000 0.75000000 0.50000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 Si Si3 1 0.75000000 0.25000000 0.50000000 1.0 O O4 1 0.82998900 0.43115500 0.91571400 1.0 O O5 1 0.18115500 0.76544200 0.10116600 1.0 O O6 1 0.66427500 0.07998900 0.89883400 1.0 O O7 1 0.51544200 0.91427500 0.08428600 1.0 O O8 1 0.23455800 0.33572500 0.41571400 1.0 O O9 1 0.08572500 0.17001100 0.60116600 1.0 O O10 1 0.56884500 0.48455800 0.39883400 1.0 O O11 1 0.92001100 0.81884500 0.58428600 1.0