# generated using pymatgen data_ZrSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55852070 _cell_length_b 5.55852069 _cell_length_c 5.55852074 _cell_angle_alpha 106.90800334 _cell_angle_beta 106.90801515 _cell_angle_gamma 114.72908079 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSiO4 _chemical_formula_sum 'Zr2 Si2 O8' _cell_volume 131.36462388 _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 0.12500000 0.87500000 0.25000000 1.0 Zr Zr1 1 0.87500000 0.12500000 0.75000000 1.0 Si Si2 1 0.62500000 0.37500000 0.25000000 1.0 Si Si3 1 0.37500000 0.62500000 0.75000000 1.0 O O4 1 0.80429992 0.37027717 0.06597725 1.0 O O5 1 0.73832067 0.80429992 0.93402275 1.0 O O6 1 0.37027717 0.80429992 0.56597725 1.0 O O7 1 0.80429992 0.73832067 0.43402275 1.0 O O8 1 0.26167933 0.19570008 0.06597725 1.0 O O9 1 0.19570008 0.62972283 0.93402275 1.0 O O10 1 0.19570008 0.26167933 0.56597725 1.0 O O11 1 0.62972283 0.19570008 0.43402275 1.0