# generated using pymatgen data_LaNi3BIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22941991 _cell_length_b 5.22941963 _cell_length_c 7.06630379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.45910119 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi3BIr _chemical_formula_sum 'La2 Ni6 B2 Ir2' _cell_volume 164.83708309 _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 La La0 1 0.00000000 0.00000000 0.50000000 1.0 La La1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.33487981 0.66512019 0.00000000 1.0 Ni Ni3 1 0.66512019 0.33487981 0.00000000 1.0 Ni Ni4 1 0.50000000 0.00000000 0.29347051 1.0 Ni Ni5 1 0.00000000 0.50000000 0.29347051 1.0 Ni Ni6 1 0.50000000 0.00000000 0.70652949 1.0 Ni Ni7 1 0.00000000 0.50000000 0.70652949 1.0 B B8 1 0.67318932 0.32681068 0.50000000 1.0 B B9 1 0.32681068 0.67318932 0.50000000 1.0 Ir Ir10 1 0.50000000 0.50000000 0.29062682 1.0 Ir Ir11 1 0.50000000 0.50000000 0.70937318 1.0