# generated using pymatgen data_Tm4ScIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.52524845 _cell_length_b 10.52524845 _cell_length_c 6.24699664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4ScIr2Os _chemical_formula_sum 'Tm16 Sc4 Ir8 Os4' _cell_volume 692.04762781 _cell_formula_units_Z 4 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 Tm Tm0 1 0.29049164 0.08420989 0.37320184 1.0 Tm Tm1 1 0.29049164 0.91579011 0.87320184 1.0 Tm Tm2 1 0.70950836 0.08420989 0.87320184 1.0 Tm Tm3 1 0.70950836 0.91579011 0.37320184 1.0 Tm Tm4 1 0.58420989 0.79049164 0.87320184 1.0 Tm Tm5 1 0.58420989 0.20950836 0.37320184 1.0 Tm Tm6 1 0.41579011 0.79049164 0.37320184 1.0 Tm Tm7 1 0.41579011 0.20950836 0.87320184 1.0 Tm Tm8 1 0.20950836 0.41579011 0.62679816 1.0 Tm Tm9 1 0.20950836 0.58420989 0.12679816 1.0 Tm Tm10 1 0.79049164 0.41579011 0.12679816 1.0 Tm Tm11 1 0.79049164 0.58420989 0.62679816 1.0 Tm Tm12 1 0.91579011 0.70950836 0.12679816 1.0 Tm Tm13 1 0.91579011 0.29049164 0.62679816 1.0 Tm Tm14 1 0.08420989 0.70950836 0.62679816 1.0 Tm Tm15 1 0.08420989 0.29049164 0.12679816 1.0 Sc Sc16 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc17 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc18 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85174494 0.14825506 0.25000000 1.0 Ir Ir21 1 0.85174494 0.85174494 0.75000000 1.0 Ir Ir22 1 0.14825506 0.14825506 0.75000000 1.0 Ir Ir23 1 0.14825506 0.85174494 0.25000000 1.0 Ir Ir24 1 0.64825506 0.35174494 0.75000000 1.0 Ir Ir25 1 0.64825506 0.64825506 0.25000000 1.0 Ir Ir26 1 0.35174494 0.35174494 0.25000000 1.0 Ir Ir27 1 0.35174494 0.64825506 0.75000000 1.0 Os Os28 1 0.50000000 0.00000000 0.12305803 1.0 Os Os29 1 0.50000000 0.00000000 0.62305803 1.0 Os Os30 1 0.00000000 0.50000000 0.87694197 1.0 Os Os31 1 0.00000000 0.50000000 0.37694197 1.0