# generated using pymatgen data_Sc2Be4Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34078710 _cell_length_b 8.38413425 _cell_length_c 10.01196527 _cell_angle_alpha 89.99986234 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Be4Ir5 _chemical_formula_sum 'Sc4 Be8 Ir10' _cell_volume 280.43121815 _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 Sc Sc0 1 0.50000000 0.84472704 0.18061297 1.0 Sc Sc1 1 0.50000000 0.15527296 0.81938703 1.0 Sc Sc2 1 0.50000000 0.65526188 0.68066882 1.0 Sc Sc3 1 0.50000000 0.34473812 0.31933118 1.0 Be Be4 1 0.50000000 0.96183833 0.59635336 1.0 Be Be5 1 0.50000000 0.03816167 0.40364664 1.0 Be Be6 1 0.50000000 0.84386358 0.90308882 1.0 Be Be7 1 0.50000000 0.15613642 0.09691118 1.0 Be Be8 1 0.50000000 0.65613443 0.40306706 1.0 Be Be9 1 0.50000000 0.34386557 0.59693294 1.0 Be Be10 1 0.50000000 0.46183949 0.90366881 1.0 Be Be11 1 0.50000000 0.53816051 0.09633119 1.0 Ir Ir12 1 0.00000000 0.65850343 0.95230074 1.0 Ir Ir13 1 0.00000000 0.34149657 0.04769926 1.0 Ir Ir14 1 0.00000000 0.84150166 0.45228414 1.0 Ir Ir15 1 0.00000000 0.15849834 0.54771586 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.40191369 0.75960849 1.0 Ir Ir18 1 0.00000000 0.59808631 0.24039151 1.0 Ir Ir19 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.00000000 0.90191105 0.74041064 1.0 Ir Ir21 1 0.00000000 0.09808895 0.25958936 1.0