# generated using pymatgen data_Tm2Pa(InIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75662168 _cell_length_b 7.39149332 _cell_length_c 3.85137237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.64799333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Pa(InIr)3 _chemical_formula_sum 'Tm2 Pa1 In3 Ir3' _cell_volume 187.97352219 _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 Tm Tm0 1 0.00119135 0.40274537 0.50000000 1.0 Tm Tm1 1 0.59844598 0.59725463 0.50000000 1.0 Pa Pa2 1 0.41862120 1.00000000 0.50000000 1.0 In In3 1 0.75695363 1.00000000 0.00000000 1.0 In In4 1 0.25900725 0.27036197 0.00000000 1.0 In In5 1 0.98864528 0.72963803 0.00000000 1.0 Ir Ir6 1 0.63733146 0.30423759 0.00000000 1.0 Ir Ir7 1 0.33309287 0.69576141 0.00000000 1.0 Ir Ir8 1 0.00670898 0.00000000 0.50000000 1.0