# generated using pymatgen data_Ti8Tc4IrOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18237428 _cell_length_b 4.36257629 _cell_length_c 8.71898668 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99997342 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Tc4IrOs3 _chemical_formula_sum 'Ti8 Tc4 Ir1 Os3' _cell_volume 235.16048273 _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 Ti Ti0 1 0.99725107 0.74999900 0.12503088 1.0 Ti Ti1 1 0.50277034 0.74999900 0.12503302 1.0 Ti Ti2 1 0.99895999 0.24999900 0.37676833 1.0 Ti Ti3 1 0.50106105 0.24999900 0.37676922 1.0 Ti Ti4 1 0.49942886 0.74999900 0.62496845 1.0 Ti Ti5 1 0.00054992 0.74999900 0.62496984 1.0 Ti Ti6 1 0.50104403 0.24999900 0.87323213 1.0 Ti Ti7 1 0.99893442 0.24999900 0.87323388 1.0 Tc Tc8 1 0.75001372 0.24999900 0.12504335 1.0 Tc Tc9 1 0.25001233 0.74999900 0.37378577 1.0 Tc Tc10 1 0.74998746 0.24999900 0.62496028 1.0 Tc Tc11 1 0.24998675 0.74999900 0.87621716 1.0 Ir Ir12 1 0.25001273 0.24999900 0.12502485 1.0 Os Os13 1 0.75001158 0.74999900 0.37483029 1.0 Os Os14 1 0.24998836 0.24999900 0.62496112 1.0 Os Os15 1 0.74998639 0.74999900 0.87517343 1.0