# generated using pymatgen data_Ta16MnV3Te16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86294493 _cell_length_b 11.01065917 _cell_length_c 19.27362700 _cell_angle_alpha 89.95105955 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta16MnV3Te16 _chemical_formula_sum 'Ta16 Mn1 V3 Te16' _cell_volume 1031.99112573 _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 0.49971011 0.56507253 0.38267022 1.0 Ta Ta1 1 0.49971011 0.43492747 0.61732978 1.0 Ta Ta2 1 0.49860755 0.06422603 0.11604047 1.0 Ta Ta3 1 0.49860755 0.93577397 0.88395953 1.0 Ta Ta4 1 0.49984879 0.70592165 0.53689386 1.0 Ta Ta5 1 0.49984879 0.29407835 0.46310614 1.0 Ta Ta6 1 0.49877566 0.20383665 0.96335962 1.0 Ta Ta7 1 0.49877566 0.79616335 0.03664038 1.0 Ta Ta8 1 0.99977947 0.69103313 0.44313943 1.0 Ta Ta9 1 0.99977947 0.30896687 0.55686057 1.0 Ta Ta10 1 0.00039374 0.18984214 0.05652866 1.0 Ta Ta11 1 0.00039374 0.81015786 0.94347134 1.0 Ta Ta12 1 0.99978550 0.40093361 0.39117247 1.0 Ta Ta13 1 0.99978550 0.59906639 0.60882753 1.0 Ta Ta14 1 0.00053064 0.90131103 0.10821198 1.0 Ta Ta15 1 0.00053064 0.09868897 0.89178802 1.0 Mn Mn16 1 0.25591663 0.00000000 0.00000000 1.0 V V17 1 0.25554397 0.50000000 0.50000000 1.0 V V18 1 0.75154540 0.00000000 0.00000000 1.0 V V19 1 0.74397673 0.50000000 0.50000000 1.0 Te Te20 1 0.99987384 0.84594875 0.56253265 1.0 Te Te21 1 0.99987384 0.15405125 0.43746735 1.0 Te Te22 1 0.00136574 0.34533472 0.93757455 1.0 Te Te23 1 0.00136574 0.65466528 0.06242545 1.0 Te Te24 1 0.49989571 0.33302340 0.31648288 1.0 Te Te25 1 0.49989571 0.66697660 0.68351712 1.0 Te Te26 1 0.49877953 0.83332540 0.18278837 1.0 Te Te27 1 0.49877953 0.16667460 0.81721163 1.0 Te Te28 1 0.49981400 0.82259913 0.40402862 1.0 Te Te29 1 0.49981400 0.17740087 0.59597138 1.0 Te Te30 1 0.49829622 0.32108109 0.09529764 1.0 Te Te31 1 0.49829622 0.67891891 0.90470236 1.0 Te Te32 1 0.99965151 0.60905033 0.30236708 1.0 Te Te33 1 0.99965151 0.39094967 0.69763292 1.0 Te Te34 1 0.00140062 0.10840881 0.19725731 1.0 Te Te35 1 0.00140062 0.89159119 0.80274269 1.0