# generated using pymatgen data_Hf12Tc5MoIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59718963 _cell_length_b 6.48459239 _cell_length_c 13.79305976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00004231 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12Tc5MoIr6 _chemical_formula_sum 'Hf12 Tc5 Mo1 Ir6' _cell_volume 411.18353754 _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 Hf Hf0 1 0.50000100 0.24996043 0.00000000 1.0 Hf Hf1 1 0.50000100 0.75003957 0.00000000 1.0 Hf Hf2 1 0.99999599 0.24981015 0.16650494 1.0 Hf Hf3 1 0.99999599 0.75019085 0.16650494 1.0 Hf Hf4 1 0.49999575 0.24974456 0.33314833 1.0 Hf Hf5 1 0.49999575 0.75025544 0.33314833 1.0 Hf Hf6 1 0.00000000 0.24980194 0.50000000 1.0 Hf Hf7 1 0.00000000 0.75019806 0.50000000 1.0 Hf Hf8 1 0.50000325 0.24974456 0.66685167 1.0 Hf Hf9 1 0.50000325 0.75025544 0.66685167 1.0 Hf Hf10 1 0.00000401 0.24981015 0.83349506 1.0 Hf Hf11 1 0.00000401 0.75019085 0.83349506 1.0 Tc Tc12 1 0.49999526 0.49999900 0.16767681 1.0 Tc Tc13 1 0.99999606 0.00000000 0.33423555 1.0 Tc Tc14 1 0.50000100 0.49999900 0.50000000 1.0 Tc Tc15 1 0.00000394 0.00000000 0.66576445 1.0 Tc Tc16 1 0.50000474 0.49999900 0.83232219 1.0 Mo Mo17 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.49999900 0.00000000 1.0 Ir Ir19 1 0.49999678 0.00000000 0.16808235 1.0 Ir Ir20 1 0.99999654 0.49999900 0.33405102 1.0 Ir Ir21 1 0.50000100 0.00000000 0.50000000 1.0 Ir Ir22 1 0.00000346 0.49999900 0.66594998 1.0 Ir Ir23 1 0.50000222 0.00000000 0.83191765 1.0