# generated using pymatgen data_Ti5Mn(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48757397 _cell_length_b 8.48757397 _cell_length_c 8.48757438 _cell_angle_alpha 62.02662556 _cell_angle_beta 62.02662556 _cell_angle_gamma 62.02662459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Mn(PO4)6 _chemical_formula_sum 'Ti5 Mn1 P6 O24' _cell_volume 451.94521932 _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 0.99992500 0.99992500 0.99992500 1.0 Ti Ti1 1 0.49997600 0.49997600 0.49997600 1.0 Ti Ti2 1 0.85831800 0.85831800 0.85831800 1.0 Ti Ti3 1 0.64478200 0.64478200 0.64478200 1.0 Ti Ti4 1 0.35681700 0.35681700 0.35681700 1.0 Mn Mn5 1 0.14710600 0.14710600 0.14710600 1.0 P P6 1 0.54733700 0.95170700 0.25046200 1.0 P P7 1 0.25046200 0.54733700 0.95170700 1.0 P P8 1 0.04341400 0.74922400 0.45583600 1.0 P P9 1 0.74922400 0.45583600 0.04341400 1.0 P P10 1 0.45583600 0.04341400 0.74922400 1.0 P P11 1 0.95170700 0.25046200 0.54733700 1.0 O O12 1 0.51304500 0.89002400 0.66656400 1.0 O O13 1 0.89002400 0.66656400 0.51304500 1.0 O O14 1 0.74908100 0.93923400 0.09749400 1.0 O O15 1 0.66656400 0.51304500 0.89002400 1.0 O O16 1 0.40229200 0.97843500 0.17946000 1.0 O O17 1 0.57092300 0.75281200 0.40791000 1.0 O O18 1 0.09749400 0.74908100 0.93923400 1.0 O O19 1 0.40791000 0.57092300 0.75281200 1.0 O O20 1 0.00007100 0.82171700 0.61198300 1.0 O O21 1 0.75281200 0.40791000 0.57092300 1.0 O O22 1 0.05056400 0.89560000 0.25765100 1.0 O O23 1 0.82171700 0.61198300 0.00007100 1.0 O O24 1 0.17946000 0.40229200 0.97843500 1.0 O O25 1 0.93923400 0.09749400 0.74908100 1.0 O O26 1 0.24235300 0.59286100 0.44363900 1.0 O O27 1 0.97843500 0.17946000 0.40229200 1.0 O O28 1 0.59286100 0.44363900 0.24235300 1.0 O O29 1 0.89560000 0.25765100 0.05056400 1.0 O O30 1 0.44363900 0.24235300 0.59286100 1.0 O O31 1 0.61198300 0.00007100 0.82171700 1.0 O O32 1 0.31829900 0.49906500 0.11401900 1.0 O O33 1 0.25765100 0.05056400 0.89560000 1.0 O O34 1 0.11401900 0.31829900 0.49906500 1.0 O O35 1 0.49906500 0.11401900 0.31829900 1.0