# generated using pymatgen data_Ti3Mn(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81531254 _cell_length_b 8.81531254 _cell_length_c 8.81531262 _cell_angle_alpha 58.39762763 _cell_angle_beta 58.39762763 _cell_angle_gamma 58.39762674 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Mn(PO4)6 _chemical_formula_sum 'Ti3 Mn1 P6 O24' _cell_volume 466.62740942 _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 0.85966000 0.85966000 0.85966000 1.0 Ti Ti1 1 0.64080400 0.64080400 0.64080400 1.0 Ti Ti2 1 0.35987400 0.35987400 0.35987400 1.0 Mn Mn3 1 0.14470600 0.14470600 0.14470600 1.0 P P4 1 0.52926000 0.96841400 0.25047100 1.0 P P5 1 0.25047100 0.52926000 0.96841400 1.0 P P6 1 0.96841400 0.25047100 0.52926000 1.0 P P7 1 0.03387900 0.75721600 0.46173000 1.0 P P8 1 0.75721600 0.46173000 0.03387900 1.0 P P9 1 0.46173000 0.03387900 0.75721600 1.0 O O10 1 0.49329300 0.86212800 0.72524300 1.0 O O11 1 0.86212800 0.72524300 0.49329300 1.0 O O12 1 0.70917200 0.93968000 0.07676500 1.0 O O13 1 0.72524300 0.49329300 0.86212800 1.0 O O14 1 0.55774800 0.78835700 0.42476000 1.0 O O15 1 0.35724700 0.99181400 0.22509200 1.0 O O16 1 0.07676500 0.70917200 0.93968000 1.0 O O17 1 0.42476000 0.55774800 0.78835700 1.0 O O18 1 0.78835700 0.42476000 0.55774800 1.0 O O19 1 0.00375800 0.78350200 0.63540200 1.0 O O20 1 0.05982400 0.93053500 0.28013500 1.0 O O21 1 0.78350200 0.63540200 0.00375800 1.0 O O22 1 0.22509200 0.35724700 0.99181400 1.0 O O23 1 0.93968000 0.07676500 0.70917200 1.0 O O24 1 0.99181400 0.22509200 0.35724700 1.0 O O25 1 0.21406700 0.58231600 0.43304000 1.0 O O26 1 0.58231600 0.43304000 0.21406700 1.0 O O27 1 0.93053500 0.28013500 0.05982400 1.0 O O28 1 0.63540200 0.00375800 0.78350200 1.0 O O29 1 0.43304000 0.21406700 0.58231600 1.0 O O30 1 0.27989800 0.50095500 0.13925800 1.0 O O31 1 0.28013500 0.05982400 0.93053500 1.0 O O32 1 0.13925800 0.27989800 0.50095500 1.0 O O33 1 0.50095500 0.13925800 0.27989800 1.0