# generated using pymatgen data_Ti3Cr2Sn(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79580739 _cell_length_b 8.79580739 _cell_length_c 8.79580722 _cell_angle_alpha 59.10186168 _cell_angle_beta 59.10186168 _cell_angle_gamma 59.10185992 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Cr2Sn(PO4)6 _chemical_formula_sum 'Ti3 Cr2 Sn1 P6 O24' _cell_volume 471.33291038 _cell_formula_units_Z 1 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 Ti Ti0 1 0.85563900 0.85563900 0.85563900 1.0 Ti Ti1 1 0.64477600 0.64477600 0.64477600 1.0 Ti Ti2 1 0.35612000 0.35612100 0.35612100 1.0 Cr Cr3 1 0.99763000 0.99763000 0.99763000 1.0 Cr Cr4 1 0.50077600 0.50077600 0.50077600 1.0 Sn Sn5 1 0.14432000 0.14432000 0.14432000 1.0 P P6 1 0.46143300 0.04108500 0.74730600 1.0 P P7 1 0.04108500 0.74730600 0.46143300 1.0 P P8 1 0.74730600 0.46143300 0.04108500 1.0 P P9 1 0.25148600 0.54487900 0.95676100 1.0 P P10 1 0.95676100 0.25148600 0.54487900 1.0 P P11 1 0.54487900 0.95676100 0.25148600 1.0 O O12 1 0.69518300 0.49985600 0.87960600 1.0 O O13 1 0.49985600 0.87960600 0.69518300 1.0 O O14 1 0.08381200 0.73322000 0.94011900 1.0 O O15 1 0.87960600 0.69518300 0.49985600 1.0 O O16 1 0.19940500 0.38717800 0.98502800 1.0 O O17 1 0.41816400 0.56336900 0.76785200 1.0 O O18 1 0.94011900 0.08381200 0.73322000 1.0 O O19 1 0.76785200 0.41816400 0.56336900 1.0 O O20 1 0.62003100 0.00286300 0.80380900 1.0 O O21 1 0.56336900 0.76785200 0.41816400 1.0 O O22 1 0.26845000 0.05603100 0.91367200 1.0 O O23 1 0.00286300 0.80380900 0.62003100 1.0 O O24 1 0.98502800 0.19940500 0.38717800 1.0 O O25 1 0.73322000 0.94011900 0.08381200 1.0 O O26 1 0.44170100 0.23136900 0.58208400 1.0 O O27 1 0.38717800 0.98502800 0.19940500 1.0 O O28 1 0.23136900 0.58208400 0.44170100 1.0 O O29 1 0.05603100 0.91367200 0.26845000 1.0 O O30 1 0.58208400 0.44170100 0.23136900 1.0 O O31 1 0.80380900 0.62003100 0.00286300 1.0 O O32 1 0.12209300 0.30242800 0.50046400 1.0 O O33 1 0.91367200 0.26845000 0.05603100 1.0 O O34 1 0.50046400 0.12209300 0.30242800 1.0 O O35 1 0.30242800 0.50046400 0.12209300 1.0