# generated using pymatgen data_TiMn3Cr2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45865203 _cell_length_b 8.45865203 _cell_length_c 8.45865208 _cell_angle_alpha 61.71215832 _cell_angle_beta 61.71215832 _cell_angle_gamma 61.71216293 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn3Cr2(PO4)6 _chemical_formula_sum 'Ti1 Mn3 Cr2 P6 O24' _cell_volume 444.36839143 _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 0.85297400 0.85297400 0.85297400 1.0 Mn Mn1 1 0.14656400 0.14656400 0.14656400 1.0 Mn Mn2 1 0.35393500 0.35393500 0.35393500 1.0 Mn Mn3 1 0.64560200 0.64560200 0.64560200 1.0 Cr Cr4 1 0.99972400 0.99972400 0.99972400 1.0 Cr Cr5 1 0.50121900 0.50121900 0.50121900 1.0 P P6 1 0.55057200 0.25083200 0.94941200 1.0 P P7 1 0.94941200 0.55057200 0.25083200 1.0 P P8 1 0.25083200 0.94941200 0.55057200 1.0 P P9 1 0.74976400 0.04946900 0.44969300 1.0 P P10 1 0.04946900 0.44969300 0.74976400 1.0 P P11 1 0.44969300 0.74976400 0.04946900 1.0 O O12 1 0.32030200 0.09865600 0.51862800 1.0 O O13 1 0.51862800 0.32030200 0.09865600 1.0 O O14 1 0.90651800 0.06483100 0.24801800 1.0 O O15 1 0.09865600 0.51862800 0.32030200 1.0 O O16 1 0.82841200 0.98868700 0.61101300 1.0 O O17 1 0.60156500 0.24937800 0.44596200 1.0 O O18 1 0.06483100 0.24801800 0.90651800 1.0 O O19 1 0.24937800 0.44596200 0.60156500 1.0 O O20 1 0.39627300 0.17778500 0.98994000 1.0 O O21 1 0.44596200 0.60156500 0.24937800 1.0 O O22 1 0.75458100 0.09052100 0.93090500 1.0 O O23 1 0.98994000 0.39627300 0.17778500 1.0 O O24 1 0.98868700 0.61101300 0.82841200 1.0 O O25 1 0.24801800 0.90651800 0.06483100 1.0 O O26 1 0.56794300 0.40149100 0.74514500 1.0 O O27 1 0.61101300 0.82841200 0.98868700 1.0 O O28 1 0.74514500 0.56794300 0.40149100 1.0 O O29 1 0.93090500 0.75458100 0.09052100 1.0 O O30 1 0.40149100 0.74514500 0.56794300 1.0 O O31 1 0.17778500 0.98994000 0.39627300 1.0 O O32 1 0.89782400 0.48737400 0.67848800 1.0 O O33 1 0.09052100 0.93090500 0.75458100 1.0 O O34 1 0.48737400 0.67848800 0.89782400 1.0 O O35 1 0.67848800 0.89782400 0.48737400 1.0