# generated using pymatgen data_Ti(MnP6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53309302 _cell_length_b 8.53309302 _cell_length_c 10.65148920 _cell_angle_alpha 66.39505730 _cell_angle_beta 66.39505730 _cell_angle_gamma 39.73915988 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(MnP6)2 _chemical_formula_sum 'Ti2 Mn4 P24' _cell_volume 448.63189000 _cell_formula_units_Z 2 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 0.69642500 0.30357500 0.75000000 1.0 Ti Ti1 1 0.30357500 0.69642500 0.25000000 1.0 Mn Mn2 1 0.62766900 0.00721700 0.54625500 1.0 Mn Mn3 1 0.99278300 0.37233100 0.95374500 1.0 Mn Mn4 1 0.00721700 0.62766900 0.04625500 1.0 Mn Mn5 1 0.37233100 0.99278300 0.45374500 1.0 P P6 1 0.59535100 0.95247700 0.07473100 1.0 P P7 1 0.04752300 0.40464900 0.42526900 1.0 P P8 1 0.40464900 0.04752300 0.92526900 1.0 P P9 1 0.95247700 0.59535100 0.57473100 1.0 P P10 1 0.58501200 0.29113100 0.16667500 1.0 P P11 1 0.70886900 0.41498800 0.33332500 1.0 P P12 1 0.97976800 0.33227100 0.75715000 1.0 P P13 1 0.66772900 0.02023200 0.74285000 1.0 P P14 1 0.02023200 0.66772900 0.24285000 1.0 P P15 1 0.33227100 0.97976800 0.25715000 1.0 P P16 1 0.01610000 0.91785700 0.92773200 1.0 P P17 1 0.08214300 0.98390000 0.57226800 1.0 P P18 1 0.98390000 0.08214300 0.07226800 1.0 P P19 1 0.91785700 0.01610000 0.42773200 1.0 P P20 1 0.33372000 0.43230300 0.50606700 1.0 P P21 1 0.56769700 0.66628000 0.99393300 1.0 P P22 1 0.66628000 0.56769700 0.49393300 1.0 P P23 1 0.43230300 0.33372000 0.00606700 1.0 P P24 1 0.99466800 0.64936400 0.83537400 1.0 P P25 1 0.35063600 0.00533200 0.66462600 1.0 P P26 1 0.00533200 0.35063600 0.16462600 1.0 P P27 1 0.64936400 0.99466800 0.33537400 1.0 P P28 1 0.29113100 0.58501200 0.66667500 1.0 P P29 1 0.41498800 0.70886900 0.83332500 1.0