# generated using pymatgen data_LuZr(B4Ir3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62148472 _cell_length_b 7.62148418 _cell_length_c 3.51982904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000661 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuZr(B4Ir3)2 _chemical_formula_sum 'Lu1 Zr1 B8 Ir6' _cell_volume 177.06442285 _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 Lu Lu0 1 0.33333300 0.66666700 0.25000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.75000000 1.0 B B2 1 0.39691494 0.94878187 0.75000000 1.0 B B3 1 0.05121813 0.44813307 0.75000000 1.0 B B4 1 0.55186693 0.60308506 0.75000000 1.0 B B5 1 0.60188911 0.05109161 0.25000000 1.0 B B6 1 0.94890839 0.55079749 0.25000000 1.0 B B7 1 0.44920251 0.39811089 0.25000000 1.0 B B8 1 0.00000000 0.00000000 0.50114243 1.0 B B9 1 0.00000000 0.00000000 0.99885757 1.0 Ir Ir10 1 0.07274490 0.74451217 0.75000000 1.0 Ir Ir11 1 0.25548783 0.32823273 0.75000000 1.0 Ir Ir12 1 0.67176727 0.92725510 0.75000000 1.0 Ir Ir13 1 0.92433395 0.25433802 0.25000000 1.0 Ir Ir14 1 0.74566198 0.66999593 0.25000000 1.0 Ir Ir15 1 0.33000407 0.07566605 0.25000000 1.0