# generated using pymatgen data_Na2Ti3Cr(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91152987 _cell_length_b 8.91152987 _cell_length_c 8.91152986 _cell_angle_alpha 57.09796295 _cell_angle_beta 57.09796295 _cell_angle_gamma 57.09796094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Ti3Cr(PO4)6 _chemical_formula_sum 'Na2 Ti3 Cr1 P6 O24' _cell_volume 466.95871237 _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 Na Na0 1 0.99873600 0.99873600 0.99873600 1.0 Na Na1 1 0.49983000 0.49983000 0.49983000 1.0 Ti Ti2 1 0.64713000 0.64713000 0.64713000 1.0 Ti Ti3 1 0.35299700 0.35299700 0.35299700 1.0 Ti Ti4 1 0.14398400 0.14398400 0.14398400 1.0 Cr Cr5 1 0.85574300 0.85574300 0.85574300 1.0 P P6 1 0.96538500 0.24623100 0.53820600 1.0 P P7 1 0.46325300 0.03536000 0.75102200 1.0 P P8 1 0.75102200 0.46325300 0.03536000 1.0 P P9 1 0.24623100 0.53820600 0.96538500 1.0 P P10 1 0.53820600 0.96538500 0.24623100 1.0 P P11 1 0.03536000 0.75102200 0.46325300 1.0 O O12 1 0.00040700 0.19836500 0.37726000 1.0 O O13 1 0.90916100 0.09497700 0.73648300 1.0 O O14 1 0.90411700 0.26624200 0.09317100 1.0 O O15 1 0.51140900 0.14928900 0.25175500 1.0 O O16 1 0.79883500 0.44024400 0.53641800 1.0 O O17 1 0.46692000 0.19952200 0.55484500 1.0 O O18 1 0.74616000 0.48846300 0.85141200 1.0 O O19 1 0.00849100 0.79787600 0.62030000 1.0 O O20 1 0.79787600 0.62030000 0.00849100 1.0 O O21 1 0.26624200 0.09317100 0.90411700 1.0 O O22 1 0.85141200 0.74616000 0.48846300 1.0 O O23 1 0.55484500 0.46692000 0.19952200 1.0 O O24 1 0.44024400 0.53641800 0.79883500 1.0 O O25 1 0.14928900 0.25175500 0.51140900 1.0 O O26 1 0.73648300 0.90916100 0.09497700 1.0 O O27 1 0.19836500 0.37726000 0.00040700 1.0 O O28 1 0.25175500 0.51140900 0.14928900 1.0 O O29 1 0.53641800 0.79883500 0.44024400 1.0 O O30 1 0.19952200 0.55484500 0.46692000 1.0 O O31 1 0.48846300 0.85141200 0.74616000 1.0 O O32 1 0.62030000 0.00849100 0.79787600 1.0 O O33 1 0.37726000 0.00040700 0.19836500 1.0 O O34 1 0.09497700 0.73648300 0.90916100 1.0 O O35 1 0.09317100 0.90411700 0.26624200 1.0