# generated using pymatgen data_CaTi5O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20090376 _cell_length_b 5.20090376 _cell_length_c 17.82222900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.05241401 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTi5O7 _chemical_formula_sum 'Ca2 Ti10 O14' _cell_volume 269.21032711 _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 Ca Ca0 1 0.20800600 0.79199400 0.75000000 1.0 Ca Ca1 1 0.79199400 0.20800600 0.25000000 1.0 Ti Ti2 1 0.71545300 0.28454700 0.56903800 1.0 Ti Ti3 1 0.53592500 0.46407500 0.14570000 1.0 Ti Ti4 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti6 1 0.46407500 0.53592500 0.85430000 1.0 Ti Ti7 1 0.28454700 0.71545300 0.43096200 1.0 Ti Ti8 1 0.28454700 0.71545300 0.06903800 1.0 Ti Ti9 1 0.71545300 0.28454700 0.93096200 1.0 Ti Ti10 1 0.46407500 0.53592500 0.64570000 1.0 Ti Ti11 1 0.53592500 0.46407500 0.35430000 1.0 O O12 1 0.36289200 0.63710800 0.95683100 1.0 O O13 1 0.63710800 0.36289200 0.04316900 1.0 O O14 1 0.63710800 0.36289200 0.45683100 1.0 O O15 1 0.36289200 0.63710800 0.54316900 1.0 O O16 1 0.82434100 0.17565900 0.83156700 1.0 O O17 1 0.17565900 0.82434100 0.16843300 1.0 O O18 1 0.17565900 0.82434100 0.33156700 1.0 O O19 1 0.82434100 0.17565900 0.66843300 1.0 O O20 1 0.09657700 0.90342300 0.88598500 1.0 O O21 1 0.90342300 0.09657700 0.11401500 1.0 O O22 1 0.90342300 0.09657700 0.38598500 1.0 O O23 1 0.09657700 0.90342300 0.61401500 1.0 O O24 1 0.52843600 0.47156400 0.75000000 1.0 O O25 1 0.47156400 0.52843600 0.25000000 1.0