# generated using pymatgen data_YbTiSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64086642 _cell_length_b 6.48102211 _cell_length_c 6.95660083 _cell_angle_alpha 66.58455485 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbTiSiO5 _chemical_formula_sum 'Yb4 Ti4 Si4 O20' _cell_volume 357.49813465 _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 Yb Yb0 1 0.91948111 0.25032779 0.25210819 1.0 Yb Yb1 1 0.58051889 0.25032779 0.75210819 1.0 Yb Yb2 1 0.41948111 0.74967221 0.24789181 1.0 Yb Yb3 1 0.08051889 0.74967221 0.74789181 1.0 Ti Ti4 1 0.25050956 0.25030184 0.50048884 1.0 Ti Ti5 1 0.74949044 0.74969816 0.49951116 1.0 Ti Ti6 1 0.24949044 0.25030184 0.00048884 1.0 Ti Ti7 1 0.75050956 0.74969816 0.99951116 1.0 Si Si8 1 0.06993082 0.75039758 0.24987578 1.0 Si Si9 1 0.56993082 0.24960242 0.25012422 1.0 Si Si10 1 0.93006918 0.24960242 0.75012422 1.0 Si Si11 1 0.43006918 0.75039758 0.74987578 1.0 O O12 1 0.46313267 0.14312518 0.11802775 1.0 O O13 1 0.96313267 0.85687482 0.38197225 1.0 O O14 1 0.53686733 0.85687482 0.88197225 1.0 O O15 1 0.03686733 0.14312518 0.61802775 1.0 O O16 1 0.03665320 0.35649869 0.88210338 1.0 O O17 1 0.53665320 0.64350131 0.61789662 1.0 O O18 1 0.96334680 0.64350131 0.11789662 1.0 O O19 1 0.46334680 0.35649869 0.38210338 1.0 O O20 1 0.31276578 0.93270294 0.58508878 1.0 O O21 1 0.81276578 0.06729706 0.91491122 1.0 O O22 1 0.68723422 0.06729706 0.41491122 1.0 O O23 1 0.18723422 0.93270294 0.08508878 1.0 O O24 1 0.32487606 0.25065396 0.75024206 1.0 O O25 1 0.82487606 0.74934604 0.74975794 1.0 O O26 1 0.67512394 0.74934604 0.24975794 1.0 O O27 1 0.17512394 0.25065396 0.25024206 1.0 O O28 1 0.31279391 0.56812626 0.91497828 1.0 O O29 1 0.81279391 0.43187374 0.58502172 1.0 O O30 1 0.68720609 0.43187374 0.08502172 1.0 O O31 1 0.18720609 0.56812626 0.41497828 1.0