# generated using pymatgen data_Ta16Mn3AlTe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85000355 _cell_length_b 10.94781544 _cell_length_c 19.17383077 _cell_angle_alpha 90.04942256 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta16Mn3AlTe16 _chemical_formula_sum 'Ta16 Mn3 Al1 Te16' _cell_volume 1018.07143455 _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 Ta Ta0 1 0.49734144 0.56481965 0.38483241 1.0 Ta Ta1 1 0.49734144 0.43518035 0.61516759 1.0 Ta Ta2 1 0.50107410 0.06356415 0.11497601 1.0 Ta Ta3 1 0.50107410 0.93643585 0.88502399 1.0 Ta Ta4 1 0.49698586 0.70240178 0.53674917 1.0 Ta Ta5 1 0.49698586 0.29759822 0.46325083 1.0 Ta Ta6 1 0.50102278 0.20218597 0.96401265 1.0 Ta Ta7 1 0.50102278 0.79781403 0.03598735 1.0 Ta Ta8 1 0.00102466 0.68877646 0.44442847 1.0 Ta Ta9 1 0.00102466 0.31122354 0.55557153 1.0 Ta Ta10 1 0.00102720 0.18784356 0.05606525 1.0 Ta Ta11 1 0.00102720 0.81215644 0.94393475 1.0 Ta Ta12 1 0.00007833 0.40291731 0.39245399 1.0 Ta Ta13 1 0.00007833 0.59708269 0.60754601 1.0 Ta Ta14 1 0.00086344 0.90212997 0.10676486 1.0 Ta Ta15 1 0.00086344 0.09787003 0.89323514 1.0 Mn Mn16 1 0.75262409 0.00000000 0.00000000 1.0 Mn Mn17 1 0.74892590 0.50000000 0.50000000 1.0 Mn Mn18 1 0.25236480 0.00000000 0.00000000 1.0 Al Al19 1 0.24898062 0.50000000 0.50000000 1.0 Te Te20 1 0.99520125 0.84607744 0.56339536 1.0 Te Te21 1 0.99520125 0.15392256 0.43660464 1.0 Te Te22 1 0.00164847 0.34599467 0.93789262 1.0 Te Te23 1 0.00164847 0.65400533 0.06210738 1.0 Te Te24 1 0.50165064 0.33378506 0.31616406 1.0 Te Te25 1 0.50165064 0.66621494 0.68383594 1.0 Te Te26 1 0.50034775 0.83274783 0.18298909 1.0 Te Te27 1 0.50034775 0.16725217 0.81701091 1.0 Te Te28 1 0.50325757 0.82364518 0.40503952 1.0 Te Te29 1 0.50325757 0.17635482 0.59496048 1.0 Te Te30 1 0.50064849 0.32204347 0.09618978 1.0 Te Te31 1 0.50064849 0.67795653 0.90381022 1.0 Te Te32 1 0.99531866 0.61001819 0.30243433 1.0 Te Te33 1 0.99531866 0.38998181 0.69756567 1.0 Te Te34 1 0.00105663 0.10802371 0.19731609 1.0 Te Te35 1 0.00105663 0.89197629 0.80268391 1.0