# generated using pymatgen data_Nd7Sn23Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94519846 _cell_length_b 9.94519875 _cell_length_c 10.15873957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000885 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd7Sn23Ir6 _chemical_formula_sum 'Nd7 Sn23 Ir6' _cell_volume 870.15644397 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.47774978 0.52225022 0.30704386 1.0 Nd Nd2 1 0.52225022 0.47774978 0.69295614 1.0 Nd Nd3 1 0.47774978 0.95549956 0.30704386 1.0 Nd Nd4 1 0.52225022 0.04450044 0.69295614 1.0 Nd Nd5 1 0.04450044 0.52225022 0.30704386 1.0 Nd Nd6 1 0.95549956 0.47774978 0.69295614 1.0 Sn Sn7 1 0.35265467 0.00000000 0.00000000 1.0 Sn Sn8 1 0.64734533 1.00000000 0.00000000 1.0 Sn Sn9 1 0.00000000 0.35265467 0.00000000 1.0 Sn Sn10 1 1.00000000 0.64734533 0.00000000 1.0 Sn Sn11 1 0.64734533 0.64734533 0.00000000 1.0 Sn Sn12 1 0.35265467 0.35265467 0.00000000 1.0 Sn Sn13 1 0.33333300 0.66666700 0.82402888 1.0 Sn Sn14 1 0.66666700 0.33333300 0.17597112 1.0 Sn Sn15 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn16 1 0.78044561 0.21955439 0.45315401 1.0 Sn Sn17 1 0.21955439 0.78044561 0.54684599 1.0 Sn Sn18 1 0.78044561 0.56089121 0.45315401 1.0 Sn Sn19 1 0.21955439 0.43910879 0.54684599 1.0 Sn Sn20 1 0.43910879 0.21955439 0.45315401 1.0 Sn Sn21 1 0.56089121 0.78044561 0.54684599 1.0 Sn Sn22 1 0.33333300 0.66666700 0.10947605 1.0 Sn Sn23 1 0.66666700 0.33333300 0.89052395 1.0 Sn Sn24 1 0.11569954 0.88430046 0.28409788 1.0 Sn Sn25 1 0.88430046 0.11569954 0.71590212 1.0 Sn Sn26 1 0.11569954 0.23140008 0.28409788 1.0 Sn Sn27 1 0.88430046 0.76859992 0.71590212 1.0 Sn Sn28 1 0.76859992 0.88430046 0.28409788 1.0 Sn Sn29 1 0.23140008 0.11569954 0.71590212 1.0 Ir Ir30 1 0.83227069 0.16772931 0.19757119 1.0 Ir Ir31 1 0.16772931 0.83227069 0.80242881 1.0 Ir Ir32 1 0.83227069 0.66454037 0.19757119 1.0 Ir Ir33 1 0.16772931 0.33545963 0.80242881 1.0 Ir Ir34 1 0.33545963 0.16772931 0.19757119 1.0 Ir Ir35 1 0.66454037 0.83227069 0.80242881 1.0