# generated using pymatgen data_Ba2Ti(SiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56085271 _cell_length_b 8.56085271 _cell_length_c 5.23975282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ti(SiO4)2 _chemical_formula_sum 'Ba4 Ti2 Si4 O16' _cell_volume 384.01204802 _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 Ba Ba0 1 0.17301428 0.67301428 0.99494196 1.0 Ba Ba1 1 0.67301428 0.82698572 0.99494196 1.0 Ba Ba2 1 0.32698572 0.17301428 0.99494196 1.0 Ba Ba3 1 0.82698572 0.32698572 0.99494196 1.0 Ti Ti4 1 0.50000000 0.50000000 0.53412278 1.0 Ti Ti5 1 -0.00000000 0.00000000 0.53412278 1.0 Si Si6 1 0.37200801 0.87200801 0.51053714 1.0 Si Si7 1 0.87200801 0.62799199 0.51053714 1.0 Si Si8 1 0.12799199 0.37200801 0.51053714 1.0 Si Si9 1 0.62799199 0.12799199 0.51053714 1.0 O O10 1 0.50000000 0.50000000 0.20886314 1.0 O O11 1 -0.00000000 0.00000000 0.20886314 1.0 O O12 1 0.79265418 0.07693521 0.64084162 1.0 O O13 1 0.20734582 0.92306479 0.64084162 1.0 O O14 1 0.92306479 0.79265418 0.64084162 1.0 O O15 1 0.07693521 0.20734582 0.64084162 1.0 O O16 1 0.42306479 0.70734582 0.64084162 1.0 O O17 1 0.70734582 0.57693521 0.64084162 1.0 O O18 1 0.29265418 0.42306479 0.64084162 1.0 O O19 1 0.57693521 0.29265418 0.64084162 1.0 O O20 1 0.50000000 0.00000000 0.62559986 1.0 O O21 1 -0.00000000 0.50000000 0.62559986 1.0 O O22 1 0.62611148 0.12611148 0.20654527 1.0 O O23 1 0.12611148 0.37388852 0.20654527 1.0 O O24 1 0.87388852 0.62611148 0.20654527 1.0 O O25 1 0.37388852 0.87388852 0.20654527 1.0