# generated using pymatgen data_SrTiCu4P4O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64085300 _cell_length_b 9.64085300 _cell_length_c 7.12910100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiCu4P4O17 _chemical_formula_sum 'Sr2 Ti2 Cu8 P8 O34' _cell_volume 662.62175353 _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 Sr Sr0 1 0.50000000 0.50000000 0.00000000 1.0 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti2 1 0.00000000 0.50000000 0.98120900 1.0 Ti Ti3 1 0.50000000 0.00000000 0.01879100 1.0 Cu Cu4 1 0.76635800 0.51952200 0.40184800 1.0 Cu Cu5 1 0.23364200 0.48047800 0.40184800 1.0 Cu Cu6 1 0.73364200 0.01952200 0.59815200 1.0 Cu Cu7 1 0.26635800 0.98047800 0.59815200 1.0 Cu Cu8 1 0.51952200 0.76635800 0.59815200 1.0 Cu Cu9 1 0.48047800 0.23364200 0.59815200 1.0 Cu Cu10 1 0.01952200 0.73364200 0.40184800 1.0 Cu Cu11 1 0.98047800 0.26635800 0.40184800 1.0 P P12 1 0.77344100 0.31562000 0.74196500 1.0 P P13 1 0.22655900 0.68438000 0.74196500 1.0 P P14 1 0.72655900 0.81562000 0.25803500 1.0 P P15 1 0.27344100 0.18438000 0.25803500 1.0 P P16 1 0.31562000 0.77344100 0.25803500 1.0 P P17 1 0.68438000 0.22655900 0.25803500 1.0 P P18 1 0.81562000 0.72655900 0.74196500 1.0 P P19 1 0.18438000 0.27344100 0.74196500 1.0 O O20 1 0.84218400 0.36875800 0.55387900 1.0 O O21 1 0.15781600 0.63124200 0.55387900 1.0 O O22 1 0.65781600 0.86875800 0.44612100 1.0 O O23 1 0.34218400 0.13124200 0.44612100 1.0 O O24 1 0.36875800 0.84218400 0.44612100 1.0 O O25 1 0.63124200 0.15781600 0.44612100 1.0 O O26 1 0.86875800 0.65781600 0.55387900 1.0 O O27 1 0.13124200 0.34218400 0.55387900 1.0 O O28 1 0.61541500 0.34571100 0.73729100 1.0 O O29 1 0.38458500 0.65428900 0.73729100 1.0 O O30 1 0.88458500 0.84571100 0.26270900 1.0 O O31 1 0.11541500 0.15428900 0.26270900 1.0 O O32 1 0.34571100 0.61541500 0.26270900 1.0 O O33 1 0.65428900 0.38458500 0.26270900 1.0 O O34 1 0.84571100 0.88458500 0.73729100 1.0 O O35 1 0.15428900 0.11541500 0.73729100 1.0 O O36 1 0.82915100 0.40119200 0.90784900 1.0 O O37 1 0.17084900 0.59880800 0.90784900 1.0 O O38 1 0.67084900 0.90119200 0.09215100 1.0 O O39 1 0.32915100 0.09880800 0.09215100 1.0 O O40 1 0.40119200 0.82915100 0.09215100 1.0 O O41 1 0.59880800 0.17084900 0.09215100 1.0 O O42 1 0.90119200 0.67084900 0.90784900 1.0 O O43 1 0.09880800 0.32915100 0.90784900 1.0 O O44 1 0.00000000 0.50000000 0.22047000 1.0 O O45 1 0.50000000 0.00000000 0.77953000 1.0 O O46 1 0.81321300 0.16114700 0.76291700 1.0 O O47 1 0.18678700 0.83885300 0.76291700 1.0 O O48 1 0.68678700 0.66114700 0.23708300 1.0 O O49 1 0.31321300 0.33885300 0.23708300 1.0 O O50 1 0.16114700 0.81321300 0.23708300 1.0 O O51 1 0.83885300 0.18678700 0.23708300 1.0 O O52 1 0.66114700 0.68678700 0.76291700 1.0 O O53 1 0.33885300 0.31321300 0.76291700 1.0