# generated using pymatgen data_Ta6Al8IrOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84580239 _cell_length_b 8.82254644 _cell_length_c 8.16794197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.44442835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Al8IrOs3 _chemical_formula_sum 'Ta12 Al16 Ir2 Os6' _cell_volume 549.55614000 _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 Ta Ta0 1 0.33532811 0.00830677 0.06383331 1.0 Ta Ta1 1 0.66467189 0.99169323 0.93616669 1.0 Ta Ta2 1 0.99880070 0.33497138 0.06066960 1.0 Ta Ta3 1 0.66467189 0.99169323 0.56383331 1.0 Ta Ta4 1 0.99880070 0.33497138 0.43933040 1.0 Ta Ta5 1 0.00119930 0.66502862 0.93933040 1.0 Ta Ta6 1 0.33532811 0.00830677 0.43616669 1.0 Ta Ta7 1 0.00119930 0.66502862 0.56066960 1.0 Ta Ta8 1 0.66510586 0.66592137 0.06518654 1.0 Ta Ta9 1 0.33489414 0.33407863 0.93481346 1.0 Ta Ta10 1 0.33489414 0.33407863 0.56518654 1.0 Ta Ta11 1 0.66510586 0.66592137 0.43481346 1.0 Al Al12 1 0.33366667 0.83980813 0.75000000 1.0 Al Al13 1 0.66150582 0.50347798 0.75000000 1.0 Al Al14 1 0.66633333 0.16019187 0.25000000 1.0 Al Al15 1 0.33849418 0.49652202 0.25000000 1.0 Al Al16 1 0.82874645 0.31792293 0.75000000 1.0 Al Al17 1 0.17125355 0.68207707 0.25000000 1.0 Al Al18 1 0.33593835 0.66779741 0.50157971 1.0 Al Al19 1 0.66406165 0.33220259 0.49842029 1.0 Al Al20 1 0.66406165 0.33220259 0.00157971 1.0 Al Al21 1 0.33593835 0.66779741 0.99842029 1.0 Al Al22 1 0.17089453 0.00124210 0.75000000 1.0 Al Al23 1 0.82910547 0.99875790 0.25000000 1.0 Al Al24 1 0.00492598 0.17219496 0.75000000 1.0 Al Al25 1 0.99507402 0.82780504 0.25000000 1.0 Al Al26 1 0.83271708 0.82865974 0.75000000 1.0 Al Al27 1 0.16728292 0.17134026 0.25000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir29 1 0.00000000 0.00000000 0.00000000 1.0 Os Os30 1 0.15752436 0.49568250 0.75000000 1.0 Os Os31 1 0.84247564 0.50431750 0.25000000 1.0 Os Os32 1 0.50652337 0.67233163 0.75000000 1.0 Os Os33 1 0.49483842 0.16699962 0.75000000 1.0 Os Os34 1 0.49347663 0.32766837 0.25000000 1.0 Os Os35 1 0.50516158 0.83300038 0.25000000 1.0