# generated using pymatgen data_Y2Sc(Ga2Ni3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06253851 _cell_length_b 8.60722855 _cell_length_c 8.60722888 _cell_angle_alpha 59.99347978 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Sc(Ga2Ni3)3 _chemical_formula_sum 'Y2 Sc1 Ga6 Ni9' _cell_volume 260.63112077 _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 Y Y0 1 0.50000000 0.33330304 0.33336979 1.0 Y Y1 1 0.50000000 0.66663021 0.66669696 1.0 Sc Sc2 1 0.00000000 0.00011409 0.99988591 1.0 Ga Ga3 1 0.50000000 0.73863077 0.26136923 1.0 Ga Ga4 1 0.50000000 0.26131933 0.99995487 1.0 Ga Ga5 1 0.50000000 0.00004513 0.73868067 1.0 Ga Ga6 1 0.00000000 0.48544134 0.51455866 1.0 Ga Ga7 1 0.00000000 0.51451053 0.00006758 1.0 Ga Ga8 1 0.00000000 0.99993242 0.48548947 1.0 Ni Ni9 1 0.00000000 0.19004526 0.17277153 1.0 Ni Ni10 1 0.00000000 0.17276068 0.63696033 1.0 Ni Ni11 1 0.00000000 0.63715205 0.19009939 1.0 Ni Ni12 1 0.00000000 0.82722747 0.80995474 1.0 Ni Ni13 1 0.00000000 0.36303967 0.82723932 1.0 Ni Ni14 1 0.00000000 0.80990061 0.36284795 1.0 Ni Ni15 1 0.50000000 0.29643392 0.70356608 1.0 Ni Ni16 1 0.50000000 0.70347768 0.00006319 1.0 Ni Ni17 1 0.50000000 0.99993681 0.29652232 1.0