# generated using pymatgen data_HfSc3(Ga3Rh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37518106 _cell_length_b 7.37100288 _cell_length_c 9.31640615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.90749841 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc3(Ga3Rh)6 _chemical_formula_sum 'Hf1 Sc3 Ga18 Rh6' _cell_volume 439.01804102 _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 Hf Hf0 1 0.99846947 0.66963596 0.25000000 1.0 Sc Sc1 1 0.00167285 0.32850859 0.75000000 1.0 Sc Sc2 1 0.67036097 0.99921929 0.25000000 1.0 Sc Sc3 1 0.33084075 0.00294685 0.75000000 1.0 Ga Ga4 1 0.12407265 0.12337319 0.25000000 1.0 Ga Ga5 1 0.87479367 0.87460295 0.75000000 1.0 Ga Ga6 1 0.99801888 0.33446596 0.08241926 1.0 Ga Ga7 1 0.00215641 0.66549762 0.91895510 1.0 Ga Ga8 1 0.00215641 0.66549762 0.58104490 1.0 Ga Ga9 1 0.33465401 0.99839034 0.41721283 1.0 Ga Ga10 1 0.99801888 0.33446596 0.41758074 1.0 Ga Ga11 1 0.66551883 0.00149466 0.58141573 1.0 Ga Ga12 1 0.66551883 0.00149466 0.91858427 1.0 Ga Ga13 1 0.33465401 0.99839034 0.08278717 1.0 Ga Ga14 1 0.33125140 0.33130906 0.57301766 1.0 Ga Ga15 1 0.66929188 0.66946851 0.42458059 1.0 Ga Ga16 1 0.66929188 0.66946851 0.07541941 1.0 Ga Ga17 1 0.33125140 0.33130906 0.92698234 1.0 Ga Ga18 1 0.33541791 0.54987675 0.25000000 1.0 Ga Ga19 1 0.66238761 0.44960903 0.75000000 1.0 Ga Ga20 1 0.55165134 0.33836400 0.25000000 1.0 Ga Ga21 1 0.44781496 0.66228544 0.75000000 1.0 Rh Rh22 1 0.67240450 0.32919471 0.00094643 1.0 Rh Rh23 1 0.32826607 0.67204741 0.00153598 1.0 Rh Rh24 1 0.32826607 0.67204741 0.49846402 1.0 Rh Rh25 1 0.67240450 0.32919471 0.49905357 1.0 Rh Rh26 1 0.99969745 0.99891871 0.00107381 1.0 Rh Rh27 1 0.99969745 0.99891871 0.49892619 1.0