# generated using pymatgen data_Tm8Sc2(IrPt)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70802046 _cell_length_b 10.70006451 _cell_length_c 6.17421690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.09912301 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Sc2(IrPt)3 _chemical_formula_sum 'Tm16 Sc4 Ir6 Pt6' _cell_volume 707.41916355 _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 0.29197714 0.08834499 0.37533816 1.0 Tm Tm1 1 0.29197714 0.91165501 0.87533816 1.0 Tm Tm2 1 0.70765882 0.08587436 0.87407289 1.0 Tm Tm3 1 0.70765882 0.91412564 0.37407289 1.0 Tm Tm4 1 0.58226136 0.78841447 0.87475877 1.0 Tm Tm5 1 0.58226136 0.21158553 0.37475877 1.0 Tm Tm6 1 0.41257782 0.78979190 0.37866629 1.0 Tm Tm7 1 0.41257782 0.21020810 0.87866629 1.0 Tm Tm8 1 0.21294449 0.41598763 0.62323899 1.0 Tm Tm9 1 0.21294449 0.58401237 0.12323899 1.0 Tm Tm10 1 0.79161585 0.41399499 0.12323032 1.0 Tm Tm11 1 0.79161585 0.58600501 0.62323032 1.0 Tm Tm12 1 0.91533110 0.70813081 0.12521388 1.0 Tm Tm13 1 0.91533110 0.29186919 0.62521388 1.0 Tm Tm14 1 0.08955493 0.70767733 0.62550646 1.0 Tm Tm15 1 0.08955493 0.29232267 0.12550646 1.0 Sc Sc16 1 0.99974789 0.99962996 0.49995617 1.0 Sc Sc17 1 0.99974789 0.00037004 0.99995617 1.0 Sc Sc18 1 0.49601286 0.49863608 0.00001484 1.0 Sc Sc19 1 0.49601286 0.50136392 0.50001484 1.0 Ir Ir20 1 0.35075538 0.34989734 0.25035069 1.0 Ir Ir21 1 0.35075538 0.65010266 0.75035069 1.0 Ir Ir22 1 0.49988616 0.99981208 0.12168869 1.0 Ir Ir23 1 0.49988616 0.00018792 0.62168869 1.0 Ir Ir24 1 0.00001465 0.50019654 0.87833375 1.0 Ir Ir25 1 0.00001465 0.49980346 0.37833375 1.0 Pt Pt26 1 0.85029104 0.14944684 0.24995645 1.0 Pt Pt27 1 0.85029104 0.85055316 0.74995645 1.0 Pt Pt28 1 0.14891221 0.14899202 0.75010102 1.0 Pt Pt29 1 0.14891221 0.85100798 0.25010102 1.0 Pt Pt30 1 0.65045728 0.35054213 0.74957263 1.0 Pt Pt31 1 0.65045728 0.64945787 0.24957263 1.0