# generated using pymatgen data_TiMn3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75742330 _cell_length_b 8.75742330 _cell_length_c 8.75742328 _cell_angle_alpha 58.25334099 _cell_angle_beta 58.25334099 _cell_angle_gamma 58.25333735 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn3(PO4)6 _chemical_formula_sum 'Ti1 Mn3 P6 O24' _cell_volume 455.91115056 _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 0.13992100 0.13992100 0.13992100 1.0 Mn Mn1 1 0.85508400 0.85508400 0.85508400 1.0 Mn Mn2 1 0.64420000 0.64420000 0.64420000 1.0 Mn Mn3 1 0.35503800 0.35503800 0.35503800 1.0 P P4 1 0.24998700 0.53674500 0.96458200 1.0 P P5 1 0.96458200 0.24998700 0.53674500 1.0 P P6 1 0.53674500 0.96458200 0.24998700 1.0 P P7 1 0.47035200 0.03337800 0.74318000 1.0 P P8 1 0.03337800 0.74318000 0.47035200 1.0 P P9 1 0.74318000 0.47035200 0.03337800 1.0 O O10 1 0.72235000 0.49058500 0.85890100 1.0 O O11 1 0.49058500 0.85890100 0.72235000 1.0 O O12 1 0.07504100 0.72301600 0.93825200 1.0 O O13 1 0.85890100 0.72235000 0.49058500 1.0 O O14 1 0.42518000 0.56289200 0.77918100 1.0 O O15 1 0.22174800 0.36357800 0.99377400 1.0 O O16 1 0.93825200 0.07504100 0.72301600 1.0 O O17 1 0.77918100 0.42518000 0.56289200 1.0 O O18 1 0.56289200 0.77918100 0.42518000 1.0 O O19 1 0.64300900 0.01154600 0.76964600 1.0 O O20 1 0.28869200 0.06077300 0.91980000 1.0 O O21 1 0.01154600 0.76964600 0.64300900 1.0 O O22 1 0.99377400 0.22174800 0.36357800 1.0 O O23 1 0.72301600 0.93825200 0.07504100 1.0 O O24 1 0.36357800 0.99377400 0.22174800 1.0 O O25 1 0.44605200 0.21752700 0.56835700 1.0 O O26 1 0.21752700 0.56835700 0.44605200 1.0 O O27 1 0.06077300 0.91980000 0.28869200 1.0 O O28 1 0.76964600 0.64300900 0.01154600 1.0 O O29 1 0.56835700 0.44605200 0.21752700 1.0 O O30 1 0.13850100 0.27454700 0.51458500 1.0 O O31 1 0.91980000 0.28869200 0.06077300 1.0 O O32 1 0.51458500 0.13850100 0.27454700 1.0 O O33 1 0.27454700 0.51458500 0.13850100 1.0