# generated using pymatgen data_Tm2ScBe2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17699071 _cell_length_b 9.75893592 _cell_length_c 9.75893592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2ScBe2Ir5 _chemical_formula_sum 'Tm4 Sc2 Be4 Ir10' _cell_volume 302.56652476 _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 Tm Tm0 1 0.00000000 0.17682892 0.67682892 1.0 Tm Tm1 1 0.00000000 0.82317108 0.32317108 1.0 Tm Tm2 1 0.00000000 0.32317108 0.17682892 1.0 Tm Tm3 1 0.00000000 0.67682892 0.82317108 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 Be Be6 1 0.00000000 0.62130925 0.12130925 1.0 Be Be7 1 0.00000000 0.37869075 0.87869075 1.0 Be Be8 1 0.00000000 0.87869075 0.62130925 1.0 Be Be9 1 0.00000000 0.12130925 0.37869075 1.0 Ir Ir10 1 0.50000000 0.06871655 0.21726217 1.0 Ir Ir11 1 0.50000000 0.93128345 0.78273783 1.0 Ir Ir12 1 0.50000000 0.78273783 0.06871655 1.0 Ir Ir13 1 0.50000000 0.43128345 0.71726217 1.0 Ir Ir14 1 0.50000000 0.21726217 0.93128345 1.0 Ir Ir15 1 0.50000000 0.56871655 0.28273783 1.0 Ir Ir16 1 0.50000000 0.71726217 0.56871655 1.0 Ir Ir17 1 0.50000000 0.28273783 0.43128345 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0