# generated using pymatgen data_Mn2NbP12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55667510 _cell_length_b 8.55667510 _cell_length_c 10.65964677 _cell_angle_alpha 65.93130307 _cell_angle_beta 65.93130307 _cell_angle_gamma 39.51907740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NbP12 _chemical_formula_sum 'Mn4 Nb2 P24' _cell_volume 447.58238371 _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 Mn Mn0 1 0.37102583 0.99269143 0.45327343 1.0 Mn Mn1 1 0.00730857 0.62897417 0.04672657 1.0 Mn Mn2 1 0.62897417 0.00730857 0.54672657 1.0 Mn Mn3 1 0.99269143 0.37102583 0.95327343 1.0 Nb Nb4 1 0.30309926 0.69690074 0.25000000 1.0 Nb Nb5 1 0.69690074 0.30309926 0.75000000 1.0 P P6 1 0.59484825 0.95248902 0.07389551 1.0 P P7 1 0.04751098 0.40515175 0.42610449 1.0 P P8 1 0.40515175 0.04751098 0.92610449 1.0 P P9 1 0.95248902 0.59484825 0.57389551 1.0 P P10 1 0.58490725 0.28703579 0.16649275 1.0 P P11 1 0.71296421 0.41509275 0.33350725 1.0 P P12 1 0.98501033 0.33034943 0.75618052 1.0 P P13 1 0.66965057 0.01498967 0.74381948 1.0 P P14 1 0.01498967 0.66965057 0.24381948 1.0 P P15 1 0.33034943 0.98501033 0.25618052 1.0 P P16 1 0.01911738 0.91507997 0.92945717 1.0 P P17 1 0.08492003 0.98088262 0.57054283 1.0 P P18 1 0.98088262 0.08492003 0.07054283 1.0 P P19 1 0.91507997 0.01911738 0.42945717 1.0 P P20 1 0.33158627 0.43088274 0.50863578 1.0 P P21 1 0.56911726 0.66841373 0.99136422 1.0 P P22 1 0.66841373 0.56911726 0.49136422 1.0 P P23 1 0.43088274 0.33158627 0.00863578 1.0 P P24 1 0.99512922 0.64740928 0.83775028 1.0 P P25 1 0.35259072 0.00487078 0.66224972 1.0 P P26 1 0.00487078 0.35259072 0.16224972 1.0 P P27 1 0.64740928 0.99512922 0.33775028 1.0 P P28 1 0.28703579 0.58490725 0.66649275 1.0 P P29 1 0.41509275 0.71296421 0.83350725 1.0